Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-08-30 02:53:45 UTC

Update Date

2021-09-26 22:48:56 UTC

HMDB ID

HMDB0242355

Secondary Accession Numbers

None

Metabolite Identification

Common Name

(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid

Description

(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid, also known as cinarine or 1,5-dicaffeoylquinic acid, belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Based on a literature review very few articles have been published on (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). (1r)-1,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv1533004161516262D          

 37 39  0  0  0  0            999 V2000
    0.3272   -5.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -4.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561   -3.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4706   -4.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4706   -4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1850   -5.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1850   -6.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4706   -6.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8995   -6.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6140   -6.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3285   -6.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429   -6.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7574   -6.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7574   -7.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4719   -7.7409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429   -7.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429   -8.5659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3285   -7.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561   -5.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561   -6.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3688   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5443   -2.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1071   -3.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1570   -2.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675   -2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548   -1.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -1.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2666   -0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8295    0.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168    0.8122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0050    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6177   -0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -2.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062   -2.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  4  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 12 19  1  0  0  0  0
  6 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
  4 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 23  1  4  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 27 34  1  0  0  0  0
  4 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END

HMDB0250694
     RDKit          3D
Cynarin
 61 63  0  0  0  0  0  0  0  0999 V2000
   -3.6235   -2.0860    1.7868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3012   -1.2855    0.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2331   -0.3099    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4580   -0.2856    0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5059    0.6203    0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3037    1.5467   -0.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3269    2.4161   -1.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5696    2.3383   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5855    3.1829   -0.8064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7855    1.4045    0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0401    1.3372    1.1635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7564    0.5676    0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289   -1.3284    0.3905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0118   -2.1836    0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.3913    1.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856   -0.6292    0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646   -0.4434    0.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843   -1.3164    0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908   -2.5202    0.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6019   -0.9259    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9588    0.3282    0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3532    0.7647    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3967   -0.1067    0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6869    0.3919    0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.7323    0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2497    2.2615    0.6356 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8807    2.5921    0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1563    3.9641    0.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6079    2.1257    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2591    0.7986    0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620    0.9833    0.3167 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567    1.8061    0.5522 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071   -0.9872   -1.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -2.4421   -1.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360   -2.6976   -2.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447   -3.1117   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2907   -4.1239    0.2296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9477    0.3746   -0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7037   -1.0137    1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3460    1.6342   -1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1440    3.1441   -1.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4506    3.8733   -1.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2037    0.6467    1.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9721   -0.1504    1.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.8802    1.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8311   -2.1571    1.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411   -0.7006    2.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3386   -1.6907    0.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1742    1.0773    0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2360   -1.1904    0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5290   -0.3064    0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0683    1.6847    0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3895    4.6045    0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7843    2.8266    0.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5585    1.9187    1.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9223   -0.4616   -1.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7322   -0.5655   -1.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2012   -2.8916   -1.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284   -2.4377   -3.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4355   -3.6813   -0.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1974   -4.6451    0.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  2  0
 16 30  1  0
 30 31  2  0
 30 32  1  0
 16 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 12  5  1  0
 36 14  1  0
 29 22  1  0
  3 38  1  0
  4 39  1  0
  6 40  1  0
  7 41  1  0
  9 42  1  0
 11 43  1  0
 12 44  1  0
 14 45  1  0
 15 46  1  0
 15 47  1  0
 20 48  1  0
 21 49  1  0
 23 50  1  0
 24 51  1  0
 26 52  1  0
 28 53  1  0
 29 54  1  0
 32 55  1  0
 33 56  1  0
 33 57  1  0
 34 58  1  0
 35 59  1  0
 36 60  1  0
 37 61  1  0
M  END

  Mrv1533004161516262D          

 37 39  0  0  0  0            999 V2000
    0.3272   -5.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -4.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561   -3.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4706   -4.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4706   -4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1850   -5.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1850   -6.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4706   -6.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8995   -6.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6140   -6.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3285   -6.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429   -6.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7574   -6.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7574   -7.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4719   -7.7409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429   -7.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429   -8.5659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3285   -7.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561   -5.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561   -6.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3688   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5443   -2.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1071   -3.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1570   -2.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675   -2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548   -1.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -1.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2666   -0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8295    0.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168    0.8122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0050    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6177   -0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -2.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062   -2.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  4  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 12 19  1  0  0  0  0
  6 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
  4 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 23  1  4  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 27 34  1  0  0  0  0
  4 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0242355

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1CC(CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O)(OC(=O)C=CC1=CC=C(O)C(O)=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)

> <INCHI_KEY>
YDDUMTOHNYZQPO-UHFFFAOYSA-N

> <FORMULA>
C25H24O12

> <MOLECULAR_WEIGHT>
516.455

> <EXACT_MASS>
516.126776213

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
49.79418412221529

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid

> <ALOGPS_LOGP>
2.07

> <JCHEM_LOGP>
2.158230316666666

> <ALOGPS_LOGS>
-3.58

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.907564069574317

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.184533116763618

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2325629248174694

> <JCHEM_POLAR_SURFACE_AREA>
211.27999999999997

> <JCHEM_REFRACTIVITY>
126.76419999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.37e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0250694
     RDKit          3D
Cynarin
 61 63  0  0  0  0  0  0  0  0999 V2000
   -3.6235   -2.0860    1.7868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3012   -1.2855    0.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2331   -0.3099    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4580   -0.2856    0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5059    0.6203    0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3037    1.5467   -0.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3269    2.4161   -1.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5696    2.3383   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5855    3.1829   -0.8064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7855    1.4045    0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0401    1.3372    1.1635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7564    0.5676    0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289   -1.3284    0.3905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0118   -2.1836    0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.3913    1.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856   -0.6292    0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646   -0.4434    0.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843   -1.3164    0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908   -2.5202    0.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6019   -0.9259    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9588    0.3282    0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3532    0.7647    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3967   -0.1067    0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6869    0.3919    0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.7323    0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2497    2.2615    0.6356 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8807    2.5921    0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1563    3.9641    0.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6079    2.1257    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2591    0.7986    0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620    0.9833    0.3167 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567    1.8061    0.5522 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071   -0.9872   -1.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -2.4421   -1.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360   -2.6976   -2.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447   -3.1117   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2907   -4.1239    0.2296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9477    0.3746   -0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7037   -1.0137    1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3460    1.6342   -1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1440    3.1441   -1.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4506    3.8733   -1.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2037    0.6467    1.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9721   -0.1504    1.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.8802    1.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8311   -2.1571    1.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411   -0.7006    2.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3386   -1.6907    0.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1742    1.0773    0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2360   -1.1904    0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5290   -0.3064    0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0683    1.6847    0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3895    4.6045    0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7843    2.8266    0.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5585    1.9187    1.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9223   -0.4616   -1.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7322   -0.5655   -1.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2012   -2.8916   -1.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284   -2.4377   -3.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4355   -3.6813   -0.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1974   -4.6451    0.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  2  0
 16 30  1  0
 30 31  2  0
 30 32  1  0
 16 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 12  5  1  0
 36 14  1  0
 29 22  1  0
  3 38  1  0
  4 39  1  0
  6 40  1  0
  7 41  1  0
  9 42  1  0
 11 43  1  0
 12 44  1  0
 14 45  1  0
 15 46  1  0
 15 47  1  0
 20 48  1  0
 21 49  1  0
 23 50  1  0
 24 51  1  0
 26 52  1  0
 28 53  1  0
 29 54  1  0
 32 55  1  0
 33 56  1  0
 33 57  1  0
 34 58  1  0
 35 59  1  0
 36 60  1  0
 37 61  1  0
M  END

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  O   UNK     0       0.611  -9.830   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.944  -9.060   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.944  -7.520   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.278  -6.750   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.612  -7.520   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.612  -9.060   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       5.945  -9.830   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       5.945 -11.370   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.612 -12.140   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       7.279 -12.140   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.613 -11.370   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.946 -12.140   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.280 -11.370   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.614 -12.140   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.614 -13.680   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      13.947 -14.450   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      11.280 -14.450   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      11.280 -15.990   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       9.946 -13.680   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.278  -9.830   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       3.278 -11.370   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.555  -5.390   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.016  -5.336   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.200  -6.642   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       0.293  -3.977   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.246  -3.923   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.969  -2.563   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -3.508  -2.509   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.231  -1.150   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.415   0.156   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -4.138   1.516   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -1.876   0.103   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -1.060   1.409   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -1.153  -1.257   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.540  -5.336   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       3.185  -4.084   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   22   35                                             
CONECT    5    4    6                                                       
CONECT    6    5    7   20                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   12                                                       
CONECT   20    6    2   21                                                  
CONECT   21   20                                                            
CONECT   22    4   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   34                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   27                                                       
CONECT   35    4   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   78    0
END

COMPND    HMDB0242355
HETATM    1  O1  UNL     1       2.319   1.117   0.889  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.877   0.071   0.486  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.214   0.171  -0.087  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.774   1.360  -0.152  1.00  0.00           C  
HETATM    5  C4  UNL     1       6.113   1.613  -0.702  1.00  0.00           C  
HETATM    6  C5  UNL     1       6.906   0.605  -1.204  1.00  0.00           C  
HETATM    7  C6  UNL     1       8.157   0.896  -1.710  1.00  0.00           C  
HETATM    8  C7  UNL     1       8.682   2.170  -1.747  1.00  0.00           C  
HETATM    9  O2  UNL     1       9.942   2.443  -2.259  1.00  0.00           O  
HETATM   10  C8  UNL     1       7.874   3.164  -1.240  1.00  0.00           C  
HETATM   11  O3  UNL     1       8.370   4.466  -1.260  1.00  0.00           O  
HETATM   12  C9  UNL     1       6.626   2.905  -0.731  1.00  0.00           C  
HETATM   13  O4  UNL     1       2.190  -1.117   0.608  1.00  0.00           O  
HETATM   14  C10 UNL     1       0.871  -1.178   1.178  1.00  0.00           C  
HETATM   15  C11 UNL     1      -0.099  -1.706   0.207  1.00  0.00           C  
HETATM   16  C12 UNL     1      -1.140  -2.646   0.687  1.00  0.00           C  
HETATM   17  O5  UNL     1      -2.386  -2.207   0.104  1.00  0.00           O  
HETATM   18  C13 UNL     1      -2.916  -0.966   0.334  1.00  0.00           C  
HETATM   19  O6  UNL     1      -2.328  -0.157   1.070  1.00  0.00           O  
HETATM   20  C14 UNL     1      -4.195  -0.566  -0.286  1.00  0.00           C  
HETATM   21  C15 UNL     1      -4.717   0.617  -0.077  1.00  0.00           C  
HETATM   22  C16 UNL     1      -5.960   1.064  -0.653  1.00  0.00           C  
HETATM   23  C17 UNL     1      -6.706   0.272  -1.482  1.00  0.00           C  
HETATM   24  C18 UNL     1      -7.912   0.687  -2.050  1.00  0.00           C  
HETATM   25  C19 UNL     1      -8.385   1.951  -1.770  1.00  0.00           C  
HETATM   26  O7  UNL     1      -9.581   2.412  -2.311  1.00  0.00           O  
HETATM   27  C20 UNL     1      -7.637   2.761  -0.932  1.00  0.00           C  
HETATM   28  O8  UNL     1      -8.164   4.040  -0.679  1.00  0.00           O  
HETATM   29  C21 UNL     1      -6.458   2.339  -0.384  1.00  0.00           C  
HETATM   30  C22 UNL     1      -0.945  -4.019   0.117  1.00  0.00           C  
HETATM   31  O9  UNL     1      -1.748  -4.568  -0.681  1.00  0.00           O  
HETATM   32  O10 UNL     1       0.172  -4.791   0.447  1.00  0.00           O  
HETATM   33  C23 UNL     1      -1.372  -2.700   2.154  1.00  0.00           C  
HETATM   34  C24 UNL     1      -0.334  -2.168   3.046  1.00  0.00           C  
HETATM   35  O11 UNL     1      -0.759  -0.946   3.624  1.00  0.00           O  
HETATM   36  C25 UNL     1       1.007  -1.921   2.466  1.00  0.00           C  
HETATM   37  O12 UNL     1       1.826  -3.042   2.391  1.00  0.00           O  
HETATM   38  H1  UNL     1       4.752  -0.679  -0.452  1.00  0.00           H  
HETATM   39  H2  UNL     1       4.248   2.259   0.215  1.00  0.00           H  
HETATM   40  H3  UNL     1       6.543  -0.425  -1.202  1.00  0.00           H  
HETATM   41  H4  UNL     1       8.764   0.075  -2.101  1.00  0.00           H  
HETATM   42  H5  UNL     1      10.519   1.698  -2.625  1.00  0.00           H  
HETATM   43  H6  UNL     1       7.827   5.235  -0.904  1.00  0.00           H  
HETATM   44  H7  UNL     1       5.997   3.708  -0.332  1.00  0.00           H  
HETATM   45  H8  UNL     1       0.592  -0.117   1.460  1.00  0.00           H  
HETATM   46  H9  UNL     1       0.487  -2.238  -0.603  1.00  0.00           H  
HETATM   47  H10 UNL     1      -0.527  -0.822  -0.358  1.00  0.00           H  
HETATM   48  H11 UNL     1      -4.705  -1.264  -0.924  1.00  0.00           H  
HETATM   49  H12 UNL     1      -4.165   1.292   0.577  1.00  0.00           H  
HETATM   50  H13 UNL     1      -6.395  -0.719  -1.738  1.00  0.00           H  
HETATM   51  H14 UNL     1      -8.490   0.053  -2.701  1.00  0.00           H  
HETATM   52  H15 UNL     1     -10.101   1.792  -2.919  1.00  0.00           H  
HETATM   53  H16 UNL     1      -7.632   4.665  -0.060  1.00  0.00           H  
HETATM   54  H17 UNL     1      -5.910   2.992   0.257  1.00  0.00           H  
HETATM   55  H18 UNL     1      -0.048  -5.728   0.815  1.00  0.00           H  
HETATM   56  H19 UNL     1      -1.539  -3.787   2.426  1.00  0.00           H  
HETATM   57  H20 UNL     1      -2.358  -2.233   2.464  1.00  0.00           H  
HETATM   58  H21 UNL     1      -0.181  -2.837   3.946  1.00  0.00           H  
HETATM   59  H22 UNL     1       0.030  -0.406   3.922  1.00  0.00           H  
HETATM   60  H23 UNL     1       1.547  -1.222   3.176  1.00  0.00           H  
HETATM   61  H24 UNL     1       1.569  -3.718   3.083  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   13
CONECT    3    4    4   38
CONECT    4    5   39
CONECT    5    6    6   12
CONECT    6    7   40
CONECT    7    8    8   41
CONECT    8    9   10
CONECT    9   42
CONECT   10   11   12   12
CONECT   11   43
CONECT   12   44
CONECT   13   14
CONECT   14   15   36   45
CONECT   15   16   46   47
CONECT   16   17   30   33
CONECT   17   18
CONECT   18   19   19   20
CONECT   20   21   21   48
CONECT   21   22   49
CONECT   22   23   23   29
CONECT   23   24   50
CONECT   24   25   25   51
CONECT   25   26   27
CONECT   26   52
CONECT   27   28   29   29
CONECT   28   53
CONECT   29   54
CONECT   30   31   31   32
CONECT   32   55
CONECT   33   34   56   57
CONECT   34   35   36   58
CONECT   35   59
CONECT   36   37   60
CONECT   37   61
END

HMDB0250694
     RDKit          3D
Cynarin
 61 63  0  0  0  0  0  0  0  0999 V2000
   -3.6235   -2.0860    1.7868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3012   -1.2855    0.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2331   -0.3099    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4580   -0.2856    0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5059    0.6203    0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3037    1.5467   -0.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3269    2.4161   -1.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5696    2.3383   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5855    3.1829   -0.8064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7855    1.4045    0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0401    1.3372    1.1635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7564    0.5676    0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289   -1.3284    0.3905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0118   -2.1836    0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.3913    1.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856   -0.6292    0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646   -0.4434    0.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843   -1.3164    0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908   -2.5202    0.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6019   -0.9259    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9588    0.3282    0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3532    0.7647    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3967   -0.1067    0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6869    0.3919    0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.7323    0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2497    2.2615    0.6356 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8807    2.5921    0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1563    3.9641    0.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6079    2.1257    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2591    0.7986    0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620    0.9833    0.3167 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567    1.8061    0.5522 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071   -0.9872   -1.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -2.4421   -1.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360   -2.6976   -2.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447   -3.1117   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2907   -4.1239    0.2296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9477    0.3746   -0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7037   -1.0137    1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3460    1.6342   -1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1440    3.1441   -1.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4506    3.8733   -1.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2037    0.6467    1.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9721   -0.1504    1.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.8802    1.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8311   -2.1571    1.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411   -0.7006    2.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3386   -1.6907    0.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1742    1.0773    0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2360   -1.1904    0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5290   -0.3064    0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0683    1.6847    0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3895    4.6045    0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7843    2.8266    0.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5585    1.9187    1.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9223   -0.4616   -1.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7322   -0.5655   -1.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2012   -2.8916   -1.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284   -2.4377   -3.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4355   -3.6813   -0.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1974   -4.6451    0.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  2  0
 16 30  1  0
 30 31  2  0
 30 32  1  0
 16 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 12  5  1  0
 36 14  1  0
 29 22  1  0
  3 38  1  0
  4 39  1  0
  6 40  1  0
  7 41  1  0
  9 42  1  0
 11 43  1  0
 12 44  1  0
 14 45  1  0
 15 46  1  0
 15 47  1  0
 20 48  1  0
 21 49  1  0
 23 50  1  0
 24 51  1  0
 26 52  1  0
 28 53  1  0
 29 54  1  0
 32 55  1  0
 33 56  1  0
 33 57  1  0
 34 58  1  0
 35 59  1  0
 36 60  1  0
 37 61  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylate	Generator
1,3-Bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylate	HMDB
Listrocol	HMDB
Cinarine	HMDB
Cynarine	HMDB
Cynarix	HMDB
1,5-Dicaffeoylquinic acid	HMDB
1-Carboxy-4,5-dihydroxy-1,3-cyclohexylenebis-(3,4-dihydroxycinnamate)	HMDB
Cinarina	HMDB
Cynarin, (1alpha,3alpha,4alpha,5beta)-isomer	HMDB
Listricol	HMDB
Cynarex	HMDB
Cinarin	HMDB
Nivellipid	HMDB
Phemocil	HMDB
1,3-Dicaffeoylquinic acid	HMDB

Chemical Formula

C₂₅H₂₄O₁₂

Average Molecular Weight

516.455

Monoisotopic Molecular Weight

516.126776213

IUPAC Name

1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid

Traditional Name

1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid

CAS Registry Number

Not Available

SMILES

OC1CC(CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O)(OC(=O)C=CC1=CC=C(O)C(O)=C1)C(O)=O

InChI Identifier

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)

InChI Key

YDDUMTOHNYZQPO-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, And 5, as well as a carboxylic acid at position 1.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

Quinic acids and derivatives

Alternative Parents

Substituents

Quinic acid
Cinnamic acid or derivatives
Coumaric acid or derivatives
Cinnamic acid ester
Hydroxycinnamic acid or derivatives
Tricarboxylic acid or derivatives
Catechol
Styrene
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Cyclohexanol
Phenol
Fatty acid ester
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
1,2-diol
Carboxylic acid ester
Secondary alcohol
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Carbonyl group
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	2.07	ALOGPS
logP	2.16	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	3.18	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	211.28 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	126.76 m³·mol⁻¹	ChemAxon
Polarizability	49.79 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	201.429	30932474
DeepCCS	[M-H]-	199.033	30932474
DeepCCS	[M-2H]-	231.915	30932474
DeepCCS	[M+Na]+	207.341	30932474
AllCCS	[M+H]+	213.8	32859911
AllCCS	[M+H-H2O]+	212.2	32859911
AllCCS	[M+NH4]+	215.2	32859911
AllCCS	[M+Na]+	215.6	32859911
AllCCS	[M-H]-	207.1	32859911
AllCCS	[M+Na-2H]-	208.1	32859911
AllCCS	[M+HCOO]-	209.4	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #1	C[Si](C)(C)OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O	4957.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #1	C[Si](C)(C)OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O	4353.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #1	C[Si](C)(C)OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O	6956.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O	4989.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O	4398.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O	6941.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #3	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	4982.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #3	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	4395.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #3	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	6966.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #4	C[Si](C)(C)OC1C(O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC1OC(=O)C=CC1=CC=C(O)C(O)=C1	4974.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #4	C[Si](C)(C)OC1C(O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC1OC(=O)C=CC1=CC=C(O)C(O)=C1	4358.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #4	C[Si](C)(C)OC1C(O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC1OC(=O)C=CC1=CC=C(O)C(O)=C1	6753.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O	4988.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O	4398.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O	6941.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #6	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)=CC=C1O	4981.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #6	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)=CC=C1O	4395.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #6	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)=CC=C1O	6966.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #7	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4968.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #7	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4311.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TMS,isomer #7	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	6986.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2)C=C1O	4827.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2)C=C1O	4404.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2)C=C1O	6372.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O	4847.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O	4444.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O	6209.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O[Si](C)(C)C	4926.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O[Si](C)(C)C	4419.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O[Si](C)(C)C	6262.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2)C=C1O	4840.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2)C=C1O	4445.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2)C=C1O	6379.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	4837.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	4443.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	6382.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #14	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4833.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #14	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4363.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #14	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	6314.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #15	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)=CC=C1O	4856.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #15	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)=CC=C1O	4438.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #15	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)=CC=C1O	6208.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O	4847.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O	4444.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O	6209.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #17	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)=CC=C1O	4856.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #17	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)=CC=C1O	4438.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #17	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)=CC=C1O	6208.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #18	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4850.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #18	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4352.2	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #18	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	6089.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #19	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4824.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #19	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4366.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #19	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	6312.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #2	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2)=CC=C1O	4836.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #2	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2)=CC=C1O	4402.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #2	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2)=CC=C1O	6371.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O[Si](C)(C)C	4925.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O[Si](C)(C)C	4419.2	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O[Si](C)(C)C	6262.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #21	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4831.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #21	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4363.2	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #21	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	6314.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #3	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4845.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #3	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4319.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #3	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	6294.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O	4828.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O	4404.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O	6372.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #5	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)=CC=C1O	4837.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #5	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)=CC=C1O	4401.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #5	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)=CC=C1O	6371.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #6	C[Si](C)(C)OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O[Si](C)(C)C	4935.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #6	C[Si](C)(C)OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O[Si](C)(C)C	4356.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #6	C[Si](C)(C)OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O[Si](C)(C)C	6166.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O	4839.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O	4449.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O	6376.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O	4839.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O	4445.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O	6379.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #9	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4824.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #9	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4366.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TMS,isomer #9	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	6312.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4637.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4369.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	5861.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4636.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4370.2	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	5861.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4649.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4366.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	5845.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4748.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4328.2	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	5587.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4747.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4408.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5789.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	4765.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	4414.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	5884.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #15	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4754.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #15	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4403.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #15	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	5771.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O	4703.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O	4456.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O	5924.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4592.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4411.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	5910.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O	4650.9	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O	4500.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O	5859.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2)C=C1O	4705.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2)C=C1O	4457.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2)C=C1O	5924.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O	4626.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O	4446.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O	5989.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #20	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4593.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #20	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4408.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #20	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	5899.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O	4657.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O	4491.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O	5847.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #22	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2)=CC=C1O	4705.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #22	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2)=CC=C1O	4453.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #22	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2)=CC=C1O	5911.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4661.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4421.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	5697.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #24	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4751.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #24	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4382.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #24	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	5807.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4790.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4467.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5760.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4595.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4408.2	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	5899.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2)C=C1O	4659.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2)C=C1O	4491.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2)C=C1O	5847.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #28	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	4706.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #28	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	4453.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #28	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	5911.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #29	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4599.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #29	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4405.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #29	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	5888.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2)C=C1O	4635.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2)C=C1O	4441.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2)C=C1O	5978.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #30	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)=CC=C1O	4664.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #30	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)=CC=C1O	4484.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #30	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)=CC=C1O	5834.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #31	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4671.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #31	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4413.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #31	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	5681.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #32	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4661.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #32	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4420.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #32	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5697.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O[Si](C)(C)C	4788.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O[Si](C)(C)C	4467.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O[Si](C)(C)C	5760.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #34	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4670.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #34	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4413.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #34	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5681.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #35	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4750.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #35	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4382.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #35	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5807.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)C=C1O	4746.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)C=C1O	4408.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)C=C1O	5789.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2)C=C1O[Si](C)(C)C	4763.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2)C=C1O[Si](C)(C)C	4414.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2)C=C1O[Si](C)(C)C	5884.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4648.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4365.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	5845.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O	4634.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O	4441.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O	5978.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #8	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)=CC=C1O	4639.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #8	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)=CC=C1O	4437.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #8	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)=CC=C1O	5965.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #9	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)=CC=C1O	4753.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #9	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)=CC=C1O	4403.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TMS,isomer #9	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)=CC=C1O	5771.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4591.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4379.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	5482.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)C=C1O[Si](C)(C)C	4696.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)C=C1O[Si](C)(C)C	4409.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)C=C1O[Si](C)(C)C	5438.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4467.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4407.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	5568.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4471.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4406.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	5547.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4548.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4370.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	5296.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4563.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4438.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5516.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #15	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2)=CC=C1O	4589.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #15	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2)=CC=C1O	4444.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #15	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2)=CC=C1O	5616.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #16	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4561.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #16	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4437.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #16	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	5495.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4592.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4379.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	5482.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #18	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4550.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #18	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4372.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #18	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	5320.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4549.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4370.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	5296.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4458.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4408.2	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	5588.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4696.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4410.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5438.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4527.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4415.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	5565.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O	4607.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O	4500.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O	5535.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O[Si](C)(C)C	4638.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O[Si](C)(C)C	4452.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O[Si](C)(C)C	5606.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #24	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4485.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #24	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4460.2	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #24	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	5457.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4529.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4415.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	5565.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2)C=C1O	4608.9	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2)C=C1O	4500.2	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2)C=C1O	5535.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4490.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4457.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	5436.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #28	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4530.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #28	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4414.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #28	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	5547.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #29	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2)=CC=C1O	4614.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #29	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2)=CC=C1O	4496.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #29	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2)=CC=C1O	5517.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4468.9	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4407.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	5568.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #30	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4621.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #30	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4430.2	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #30	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	5360.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #31	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4530.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #31	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4413.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #31	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	5547.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #32	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4492.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #32	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4457.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #32	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	5436.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #33	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)=CC=C1O	4613.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #33	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)=CC=C1O	4496.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #33	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)=CC=C1O	5517.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #34	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4497.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #34	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4454.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #34	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	5415.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #35	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4620.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #35	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4429.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #35	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5360.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4550.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4372.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	5320.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O	4585.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O	4445.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O	5634.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4564.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4440.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5537.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2)C=C1O	4586.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2)C=C1O	4445.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2)C=C1O	5634.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)C=C1O	4564.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)C=C1O	4438.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)C=C1O	5516.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #9	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)=CC=C1O	4588.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #9	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)=CC=C1O	4444.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,4TMS,isomer #9	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)=CC=C1O	5616.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4431.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	4413.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1	5314.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #10	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4521.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #10	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4439.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #10	C[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	5254.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #11	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4440.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #11	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4416.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #11	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	5292.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4389.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4406.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	5135.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4393.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4408.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	5110.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #14	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)=CC=C1O	4521.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #14	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)=CC=C1O	4439.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #14	C[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)=CC=C1O	5254.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4523.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4377.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	5053.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4456.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	4460.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C1	5220.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4506.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4418.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	5324.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4589.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4495.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5303.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4458.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4461.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	5220.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4439.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4416.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	5292.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4461.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	4462.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C1	5199.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #21	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4461.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #21	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	4462.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #21	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(O)C(O[Si](C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C1	5199.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4523.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4377.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	5053.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4434.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	4413.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1	5314.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4384.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4404.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	5158.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4391.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	4406.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1	5135.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4524.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4436.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5277.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	4565.9	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	4446.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	5374.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)C=C1O	4525.9	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)C=C1O	4436.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,5TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)C=C1O	5277.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O	5220.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O	4581.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O	6798.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O	5249.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O	4612.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O	6779.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	5247.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	4600.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	6785.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC1OC(=O)C=CC1=CC=C(O)C(O)=C1	5237.9	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC1OC(=O)C=CC1=CC=C(O)C(O)=C1	4586.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC1OC(=O)C=CC1=CC=C(O)C(O)=C1	6634.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O	5249.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O	4612.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O	6779.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)=CC=C1O	5246.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)=CC=C1O	4600.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)=CC=C1O	6785.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5252.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4534.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	6761.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2)C=C1O	5338.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2)C=C1O	4843.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2)C=C1O	6222.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	5354.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4868.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	6111.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	5405.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	4828.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	6174.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2)C=C1O	5348.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2)C=C1O	4856.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2)C=C1O	6247.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	5338.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	4845.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	6234.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C1	5358.9	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C1	4776.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C1	6135.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5360.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4854.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	6096.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O	5353.9	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O	4868.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O	6111.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)=CC=C1O	5359.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)=CC=C1O	4854.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)=CC=C1O	6096.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5353.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4780.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5959.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5349.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4787.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	6149.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2)=CC=C1O	5346.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2)=CC=C1O	4831.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2)=CC=C1O	6207.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O[Si](C)(C)C(C)(C)C	5406.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O[Si](C)(C)C(C)(C)C	4828.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O[Si](C)(C)C(C)(C)C	6174.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5359.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4776.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	6135.0	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	5344.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	4761.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	6097.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	5338.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4843.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	6222.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	5346.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4831.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	6207.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O[Si](C)(C)C(C)(C)C	5401.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O[Si](C)(C)C(C)(C)C	4804.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O[Si](C)(C)C(C)(C)C	6049.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O	5354.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O	4868.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(C(=O)O)CC(O)C2O)C=C1O	6260.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O	5346.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O	4856.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O	6247.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1	5348.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1	4787.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1	6149.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	5365.9	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	4980.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	5791.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	5364.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	4980.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	5791.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	5375.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	4971.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	5768.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1	5445.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1	4951.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1	5568.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O	5444.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O	5033.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O	5770.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)C=C1O[Si](C)(C)C(C)(C)C	5439.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)C=C1O[Si](C)(C)C(C)(C)C	5021.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)C=C1O[Si](C)(C)C(C)(C)C	5853.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5449.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5021.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5747.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O	5441.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O	5033.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O)C=C1O	5923.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1	5377.9	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1	4995.1	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1	5872.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	5423.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	5095.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	5855.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C2)C=C1O	5441.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C2)C=C1O	5033.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C2)C=C1O	5923.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	5425.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	5055.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	5932.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1	5366.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1	4984.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1	5851.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	5412.9	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	5083.2	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	5834.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C2)=CC=C1O	5424.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C2)=CC=C1O	5025.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C2)=CC=C1O	5904.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1	5376.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1	5017.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1	5693.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C1	5452.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C1	4952.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C1	5795.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	5460.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	5059.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	5780.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C1	5366.5	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C1	4983.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C1	5851.6	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2)C=C1O	5413.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2)C=C1O	5082.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2)C=C1O	5834.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	5424.2	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	5025.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O)=CC=C1O	5904.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C1	5355.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C1	4974.0	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C1	5830.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2)C=C1O	5414.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2)C=C1O	5045.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2)C=C1O	5911.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5404.0	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5071.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5813.7	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C1	5388.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C1	5005.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C1	5671.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5377.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5016.6	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5693.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O[Si](C)(C)C(C)(C)C	5458.7	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O[Si](C)(C)C(C)(C)C	5058.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2)C=C1O[Si](C)(C)C(C)(C)C	5780.2	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5387.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5005.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5671.4	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5452.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	4952.3	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1	5795.5	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2)C=C1O	5444.8	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2)C=C1O	5032.7	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2)C=C1O	5770.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2)C=C1O[Si](C)(C)C(C)(C)C	5438.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2)C=C1O[Si](C)(C)C(C)(C)C	5020.8	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2)C=C1O[Si](C)(C)C(C)(C)C	5853.8	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	5374.6	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	4971.4	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C1(OC(=O)C=CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1	5768.9	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	5412.3	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	5045.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	5911.1	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	5403.1	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	5037.5	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2CC(OC(=O)C=CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(C(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	5889.3	Standard polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2)=CC=C1O	5448.4	Semi standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2)=CC=C1O	5021.9	Standard non polar	33892256
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C=CC(=O)OC2(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2)=CC=C1O	5747.2	Standard polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-0gdl-0903040000-c35013570d77a586f047	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-016u-0903040000-c0dd1ab559e33d7cd0ff	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-002f-0900000000-5545a9b8dbff888ac2ae	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-0gdl-0903030000-4626a50fabdd1938c353	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-000l-0900000000-c427b0ad0c841ed749c0	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-002f-0900000000-77ab048e02ab9119d5ff	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-000l-0900000000-8241b8ce07e8fbe8c616	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-0gi0-0904050000-e3060375ec8feae5301b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-014i-0001090000-feea13d086f937ff15f7	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-000l-0900000000-550dd1c5bba77efbe4ce	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-014i-0001090000-c9e056c1216114c1de08	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-0gdl-0903040000-327654c4c05aace01f7d	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Negative-QTOF	splash10-0gdl-0903040000-645b636797c1ff2086e6	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Negative-QTOF	splash10-0gi0-0904050000-853c820343086d7ad49f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-014i-0001090000-992e697c598bf0663799	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 6V, Positive-QTOF	splash10-002f-0900000000-59c7b1d2aa5c353b6509	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 10V, Positive-QTOF	splash10-03xs-0905430000-e56ccef26012aa1a2752	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 20V, Positive-QTOF	splash10-03di-0900100000-97db74e0550dda65e371	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 40V, Positive-QTOF	splash10-0409-1900200000-b1fdfb3ba1ae534a6395	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 10V, Negative-QTOF	splash10-014i-0200090000-b7b5c2bba6df98a0de34	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 20V, Negative-QTOF	splash10-00kr-0948000000-1aadf69ab983a16d0ff7	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 40V, Negative-QTOF	splash10-000i-0921100000-a6f3439fcc24a437a7db	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

178455

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

205954

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for (1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid (HMDB0242355)

MOL for HMDB0242355 ((1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid)

3D MOL for HMDB0242355 ((1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid)

3D SDF for HMDB0242355 ((1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid)

3D-SDF for HMDB0242355 ((1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid)

PDB for HMDB0242355 ((1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid)

3D PDB for HMDB0242355 ((1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid)

SMILES for HMDB0242355 ((1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid)

INCHI for HMDB0242355 ((1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid)

Structure for HMDB0242355 ((1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid)

3D Structure for HMDB0242355 ((1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra