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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:39:29 UTC

Update Date

2022-03-07 02:55:44 UTC

HMDB ID

HMDB0038357

Secondary Accession Numbers

HMDB38357

Metabolite Identification

Common Name

Gambiriin A1

Description

Gambiriin A1 belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Gambiriin A1 has been detected, but not quantified in, several different foods, such as green tea, red tea, herbs and spices, teas (Camellia sinensis), and herbal tea. This could make gambiriin A1 a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on Gambiriin A1.

Structure

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


  Mrv0541 05061310242D          

 42 46  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1447   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
 12  1  1  0  0  0  0
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 38 23  1  0  0  0  0
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 40 25  1  0  0  0  0
 41 26  1  0  0  0  0
 42 29  1  0  0  0  0
 42 30  1  0  0  0  0
M  END

HMDB0038357
     RDKit          3D
Gambiriin A1
 70 74  0  0  0  0  0  0  0  0999 V2000
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   -0.0778    0.7214    0.9197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7348   -1.2833   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6794   -2.3686   -0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
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 42 70  1  0
M  END


  Mrv0541 05061310242D          

 42 46  0  0  0  0            999 V2000
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    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
 12  1  1  0  0  0  0
 12  5  2  0  0  0  0
 13  2  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17  3  1  0  0  0  0
 18  4  1  0  0  0  0
 19  7  1  0  0  0  0
 19 15  2  0  0  0  0
 20  8  2  0  0  0  0
 20 15  1  0  0  0  0
 21 11  2  0  0  0  0
 21 16  1  0  0  0  0
 22  5  1  0  0  0  0
 22 17  2  0  0  0  0
 23  6  1  0  0  0  0
 23 18  2  0  0  0  0
 24  9  1  0  0  0  0
 25 11  1  0  0  0  0
 26 10  1  0  0  0  0
 27 12  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  2  0  0  0  0
 28 27  1  0  0  0  0
 29 13  1  0  0  0  0
 29 26  1  0  0  0  0
 30 16  2  0  0  0  0
 30 28  1  0  0  0  0
 31 14  1  0  0  0  0
 32 17  1  0  0  0  0
 33 18  1  0  0  0  0
 34 19  1  0  0  0  0
 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37 22  1  0  0  0  0
 38 23  1  0  0  0  0
 39 24  1  0  0  0  0
 40 25  1  0  0  0  0
 41 26  1  0  0  0  0
 42 29  1  0  0  0  0
 42 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038357

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(CC1=C(O)C=C(O)C=C1O)C(C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1OC(C(O)C2)C1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2

> <INCHI_KEY>
AAOPKIFUFWCDQZ-UHFFFAOYSA-N

> <FORMULA>
C30H28O12

> <MOLECULAR_WEIGHT>
580.5361

> <EXACT_MASS>
580.15807636

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
56.056765864544204

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <ALOGPS_LOGP>
2.11

> <JCHEM_LOGP>
3.3702700359999995

> <ALOGPS_LOGS>
-3.79

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.195085276647141

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.7545455759857

> <JCHEM_PKA_STRONGEST_BASIC>
-5.171413906479295

> <JCHEM_POLAR_SURFACE_AREA>
231.75999999999996

> <JCHEM_REFRACTIVITY>
149.07950000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.41e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,4-dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038357
     RDKit          3D
Gambiriin A1
 70 74  0  0  0  0  0  0  0  0999 V2000
   -3.1856    4.2899    4.7874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8033    3.1166    4.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6097    2.4624    3.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2249    1.2949    2.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0814    0.7022    1.7240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007    0.7593    2.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5743   -0.5421    2.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1641   -0.2309    0.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0778    0.7214    0.9197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7348   -1.2833   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6794   -2.3686   -0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141   -3.2006    0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1814   -4.2015    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4471   -4.4084   -1.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3181   -5.4110   -1.7156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8382   -3.6030   -2.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0774   -3.7748   -3.5559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -2.6228   -1.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6772   -1.6663   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -2.5425    0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4732   -3.1007    1.7789 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5886   -2.8699    0.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149   -2.3308   -0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7688   -2.7030   -0.1117 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9039   -1.4549   -1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5728   -1.1370   -1.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0918   -0.2652   -1.9572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.5990   -2.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0170    1.9663   -2.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2782    2.1261   -0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151    3.3949   -0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2834    4.5052   -1.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4091    5.7732   -0.5212 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214    4.3598   -2.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8928    5.4899   -3.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8877    3.0949   -2.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2147    0.0092   -3.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530   -0.6327   -4.3229 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8048   -0.8839   -2.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1952    1.3849    3.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0358    0.8513    4.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5944    2.5451    4.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0426    4.7723    4.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5726    2.9370    3.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9689    1.1394    1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -1.0790    2.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5537   -1.1057    2.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709    0.4047    0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4224    1.6105    1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7903   -0.6572   -1.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1565   -3.1074    1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6719   -4.8487    0.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7779   -6.0172   -1.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7010   -4.4903   -3.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305   -2.0161   -2.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0509   -3.4689    2.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9790   -3.5610    1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4483   -2.3623   -0.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3358    0.7338   -3.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    1.2511   -0.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229    3.4958    0.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003    5.9744    0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9896    6.4131   -2.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806    2.9597   -4.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9437    0.8605   -3.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251   -0.1841   -4.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6978   -0.4207   -1.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -1.7705   -2.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6735    1.2842    4.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395    3.0396    5.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  2  0
 28 37  1  0
 37 38  1  0
 37 39  1  0
  6 40  1  0
 40 41  1  0
 40 42  2  0
 42  2  1  0
 18 11  1  0
 26 19  1  0
 36 29  1  0
 39 25  1  0
  1 43  1  0
  3 44  1  0
  5 45  1  0
  7 46  1  0
  7 47  1  0
  8 48  1  0
  9 49  1  0
 10 50  1  0
 12 51  1  0
 13 52  1  0
 15 53  1  0
 17 54  1  0
 18 55  1  0
 21 56  1  0
 22 57  1  0
 24 58  1  0
 28 59  1  0
 30 60  1  0
 31 61  1  0
 33 62  1  0
 35 63  1  0
 36 64  1  0
 37 65  1  0
 38 66  1  0
 39 67  1  0
 39 68  1  0
 41 69  1  0
 42 70  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      13.337  -7.700   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       9.336  -2.310   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
CONECT    1    3   12                                                       
CONECT    2    4   13                                                       
CONECT    3    1   17                                                       
CONECT    4    2   18                                                       
CONECT    5   12   22                                                       
CONECT    6   13   23                                                       
CONECT    7   14   19                                                       
CONECT    8   14   20                                                       
CONECT    9   15   24                                                       
CONECT   10   16   26                                                       
CONECT   11   21   25                                                       
CONECT   12    1    5   27                                                  
CONECT   13    2    6   29                                                  
CONECT   14    7    8   31                                                  
CONECT   15    9   19   20                                                  
CONECT   16   10   21   30                                                  
CONECT   17    3   22   32                                                  
CONECT   18    4   23   33                                                  
CONECT   19    7   15   34                                                  
CONECT   20    8   15   35                                                  
CONECT   21   11   16   36                                                  
CONECT   22    5   17   37                                                  
CONECT   23    6   18   38                                                  
CONECT   24    9   27   39                                                  
CONECT   25   11   28   40                                                  
CONECT   26   10   29   41                                                  
CONECT   27   12   24   28                                                  
CONECT   28   25   27   30                                                  
CONECT   29   13   26   42                                                  
CONECT   30   16   28   42                                                  
CONECT   31   14                                                            
CONECT   32   17                                                            
CONECT   33   18                                                            
CONECT   34   19                                                            
CONECT   35   20                                                            
CONECT   36   21                                                            
CONECT   37   22                                                            
CONECT   38   23                                                            
CONECT   39   24                                                            
CONECT   40   25                                                            
CONECT   41   26                                                            
CONECT   42   29   30                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

COMPND    HMDB0038357
HETATM    1  O1  UNL     1      -3.186   4.290   4.787  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.803   3.117   4.166  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.610   2.462   3.245  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.225   1.295   2.629  1.00  0.00           C  
HETATM    5  O2  UNL     1      -4.081   0.702   1.724  1.00  0.00           O  
HETATM    6  C4  UNL     1      -2.001   0.759   2.937  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.574  -0.542   2.235  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.164  -0.231   0.856  1.00  0.00           C  
HETATM    9  O3  UNL     1      -0.078   0.721   0.920  1.00  0.00           O  
HETATM   10  C7  UNL     1      -0.735  -1.283  -0.090  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.679  -2.369  -0.423  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.314  -3.201   0.454  1.00  0.00           C  
HETATM   13  C10 UNL     1      -3.181  -4.201   0.041  1.00  0.00           C  
HETATM   14  C11 UNL     1      -3.447  -4.408  -1.270  1.00  0.00           C  
HETATM   15  O4  UNL     1      -4.318  -5.411  -1.716  1.00  0.00           O  
HETATM   16  C12 UNL     1      -2.838  -3.603  -2.202  1.00  0.00           C  
HETATM   17  O5  UNL     1      -3.077  -3.775  -3.556  1.00  0.00           O  
HETATM   18  C13 UNL     1      -1.988  -2.623  -1.777  1.00  0.00           C  
HETATM   19  C14 UNL     1       0.677  -1.666  -0.077  1.00  0.00           C  
HETATM   20  C15 UNL     1       1.195  -2.542   0.848  1.00  0.00           C  
HETATM   21  O6  UNL     1       0.473  -3.101   1.779  1.00  0.00           O  
HETATM   22  C16 UNL     1       2.589  -2.870   0.804  1.00  0.00           C  
HETATM   23  C17 UNL     1       3.415  -2.331  -0.136  1.00  0.00           C  
HETATM   24  O7  UNL     1       4.769  -2.703  -0.112  1.00  0.00           O  
HETATM   25  C18 UNL     1       2.904  -1.455  -1.063  1.00  0.00           C  
HETATM   26  C19 UNL     1       1.573  -1.137  -1.027  1.00  0.00           C  
HETATM   27  O8  UNL     1       1.092  -0.265  -1.957  1.00  0.00           O  
HETATM   28  C20 UNL     1       1.879   0.599  -2.708  1.00  0.00           C  
HETATM   29  C21 UNL     1       2.017   1.966  -2.147  1.00  0.00           C  
HETATM   30  C22 UNL     1       2.278   2.126  -0.804  1.00  0.00           C  
HETATM   31  C23 UNL     1       2.415   3.395  -0.231  1.00  0.00           C  
HETATM   32  C24 UNL     1       2.283   4.505  -1.038  1.00  0.00           C  
HETATM   33  O9  UNL     1       2.409   5.773  -0.521  1.00  0.00           O  
HETATM   34  C25 UNL     1       2.021   4.360  -2.387  1.00  0.00           C  
HETATM   35  O10 UNL     1       1.893   5.490  -3.180  1.00  0.00           O  
HETATM   36  C26 UNL     1       1.888   3.095  -2.944  1.00  0.00           C  
HETATM   37  C27 UNL     1       3.215   0.009  -3.082  1.00  0.00           C  
HETATM   38  O11 UNL     1       3.153  -0.633  -4.323  1.00  0.00           O  
HETATM   39  C28 UNL     1       3.805  -0.884  -2.063  1.00  0.00           C  
HETATM   40  C29 UNL     1      -1.195   1.385   3.837  1.00  0.00           C  
HETATM   41  O12 UNL     1       0.036   0.851   4.150  1.00  0.00           O  
HETATM   42  C30 UNL     1      -1.594   2.545   4.440  1.00  0.00           C  
HETATM   43  H1  UNL     1      -4.043   4.772   4.649  1.00  0.00           H  
HETATM   44  H2  UNL     1      -4.573   2.937   3.041  1.00  0.00           H  
HETATM   45  H3  UNL     1      -4.969   1.139   1.537  1.00  0.00           H  
HETATM   46  H4  UNL     1      -0.876  -1.079   2.879  1.00  0.00           H  
HETATM   47  H5  UNL     1      -2.554  -1.106   2.273  1.00  0.00           H  
HETATM   48  H6  UNL     1      -1.971   0.405   0.376  1.00  0.00           H  
HETATM   49  H7  UNL     1      -0.422   1.611   1.111  1.00  0.00           H  
HETATM   50  H8  UNL     1      -0.790  -0.657  -1.114  1.00  0.00           H  
HETATM   51  H9  UNL     1      -2.157  -3.107   1.495  1.00  0.00           H  
HETATM   52  H10 UNL     1      -3.672  -4.849   0.768  1.00  0.00           H  
HETATM   53  H11 UNL     1      -4.778  -6.017  -1.028  1.00  0.00           H  
HETATM   54  H12 UNL     1      -3.701  -4.490  -3.903  1.00  0.00           H  
HETATM   55  H13 UNL     1      -1.531  -2.016  -2.557  1.00  0.00           H  
HETATM   56  H14 UNL     1      -0.051  -3.469   2.408  1.00  0.00           H  
HETATM   57  H15 UNL     1       2.979  -3.561   1.539  1.00  0.00           H  
HETATM   58  H16 UNL     1       5.448  -2.362  -0.757  1.00  0.00           H  
HETATM   59  H17 UNL     1       1.336   0.734  -3.692  1.00  0.00           H  
HETATM   60  H18 UNL     1       2.375   1.251  -0.203  1.00  0.00           H  
HETATM   61  H19 UNL     1       2.623   3.496   0.840  1.00  0.00           H  
HETATM   62  H20 UNL     1       2.600   5.974   0.453  1.00  0.00           H  
HETATM   63  H21 UNL     1       1.990   6.413  -2.777  1.00  0.00           H  
HETATM   64  H22 UNL     1       1.681   2.960  -4.008  1.00  0.00           H  
HETATM   65  H23 UNL     1       3.944   0.861  -3.237  1.00  0.00           H  
HETATM   66  H24 UNL     1       2.525  -0.184  -4.948  1.00  0.00           H  
HETATM   67  H25 UNL     1       4.698  -0.421  -1.542  1.00  0.00           H  
HETATM   68  H26 UNL     1       4.265  -1.770  -2.602  1.00  0.00           H  
HETATM   69  H27 UNL     1       0.673   1.284   4.817  1.00  0.00           H  
HETATM   70  H28 UNL     1      -0.939   3.040   5.161  1.00  0.00           H  
CONECT    1    2   43
CONECT    2    3    3   42
CONECT    3    4   44
CONECT    4    5    6    6
CONECT    5   45
CONECT    6    7   40
CONECT    7    8   46   47
CONECT    8    9   10   48
CONECT    9   49
CONECT   10   11   19   50
CONECT   11   12   12   18
CONECT   12   13   51
CONECT   13   14   14   52
CONECT   14   15   16
CONECT   15   53
CONECT   16   17   18   18
CONECT   17   54
CONECT   18   55
CONECT   19   20   20   26
CONECT   20   21   22
CONECT   21   56
CONECT   22   23   23   57
CONECT   23   24   25
CONECT   24   58
CONECT   25   26   26   39
CONECT   26   27
CONECT   27   28
CONECT   28   29   37   59
CONECT   29   30   30   36
CONECT   30   31   60
CONECT   31   32   32   61
CONECT   32   33   34
CONECT   33   62
CONECT   34   35   36   36
CONECT   35   63
CONECT   36   64
CONECT   37   38   39   65
CONECT   38   66
CONECT   39   67   68
CONECT   40   41   42   42
CONECT   41   69
CONECT   42   70
END

HMDB0038357
     RDKit          3D
Gambiriin A1
 70 74  0  0  0  0  0  0  0  0999 V2000
   -3.1856    4.2899    4.7874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8033    3.1166    4.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6097    2.4624    3.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2249    1.2949    2.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0814    0.7022    1.7240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007    0.7593    2.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5743   -0.5421    2.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1641   -0.2309    0.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0778    0.7214    0.9197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7348   -1.2833   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6794   -2.3686   -0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141   -3.2006    0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1814   -4.2015    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4471   -4.4084   -1.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3181   -5.4110   -1.7156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8382   -3.6030   -2.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0774   -3.7748   -3.5559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -2.6228   -1.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6772   -1.6663   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -2.5425    0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4732   -3.1007    1.7789 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5886   -2.8699    0.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149   -2.3308   -0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7688   -2.7030   -0.1117 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9039   -1.4549   -1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5728   -1.1370   -1.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0918   -0.2652   -1.9572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.5990   -2.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0170    1.9663   -2.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2782    2.1261   -0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151    3.3949   -0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2834    4.5052   -1.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4091    5.7732   -0.5212 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214    4.3598   -2.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8928    5.4899   -3.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8877    3.0949   -2.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2147    0.0092   -3.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530   -0.6327   -4.3229 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8048   -0.8839   -2.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1952    1.3849    3.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0358    0.8513    4.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5944    2.5451    4.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0426    4.7723    4.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5726    2.9370    3.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9689    1.1394    1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -1.0790    2.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5537   -1.1057    2.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709    0.4047    0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4224    1.6105    1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7903   -0.6572   -1.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1565   -3.1074    1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6719   -4.8487    0.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7779   -6.0172   -1.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7010   -4.4903   -3.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305   -2.0161   -2.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0509   -3.4689    2.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9790   -3.5610    1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4483   -2.3623   -0.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3358    0.7338   -3.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    1.2511   -0.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229    3.4958    0.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003    5.9744    0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9896    6.4131   -2.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806    2.9597   -4.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9437    0.8605   -3.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251   -0.1841   -4.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6978   -0.4207   -1.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -1.7705   -2.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6735    1.2842    4.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395    3.0396    5.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  2  0
 28 37  1  0
 37 38  1  0
 37 39  1  0
  6 40  1  0
 40 41  1  0
 40 42  2  0
 42  2  1  0
 18 11  1  0
 26 19  1  0
 36 29  1  0
 39 25  1  0
  1 43  1  0
  3 44  1  0
  5 45  1  0
  7 46  1  0
  7 47  1  0
  8 48  1  0
  9 49  1  0
 10 50  1  0
 12 51  1  0
 13 52  1  0
 15 53  1  0
 17 54  1  0
 18 55  1  0
 21 56  1  0
 22 57  1  0
 24 58  1  0
 28 59  1  0
 30 60  1  0
 31 61  1  0
 33 62  1  0
 35 63  1  0
 36 64  1  0
 37 65  1  0
 38 66  1  0
 39 67  1  0
 39 68  1  0
 41 69  1  0
 42 70  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₃₀H₂₈O₁₂

Average Molecular Weight

580.5361

Monoisotopic Molecular Weight

580.15807636

IUPAC Name

2-(3,4-dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Traditional Name

2-(3,4-dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

CAS Registry Number

76250-49-2

SMILES

OC(CC1=C(O)C=C(O)C=C1O)C(C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1OC(C(O)C2)C1=CC(O)=C(O)C=C1

InChI Identifier

InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2

InChI Key

AAOPKIFUFWCDQZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Catechins

Alternative Parents

Substituents

Catechin
Linear 1,7-diphenylheptane skeleton
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Cinnamylphenol
Linear 1,3-diarylpropanoid
1-benzopyran
Chromane
Benzopyran
Benzenetriol
Phloroglucinol derivative
Catechol
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
1-hydroxy-4-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Secondary alcohol
Polyol
Oxacycle
Organoheterocyclic compound
Ether
Organooxygen compound
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0038357)
Cytoplasm (HMDB: HMDB0038357)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038357)

Source

Exogenous

Exogenous (HMDB: HMDB0038357)

Food

Food (HMDB: HMDB0038357)

Tea

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Endogenous

Plant

Plant (HMDB: HMDB0038357)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0038357)

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	16.11 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.094 g/L	ALOGPS
logP	2.11	ALOGPS
logP	3.37	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	8.75	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	231.76 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	149.08 m³·mol⁻¹	ChemAxon
Polarizability	56.06 Å³	ChemAxon
Number of Rings	5	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
DarkChem	[M+H]+	231.503	31661259
DarkChem	[M-H]-	221.038	31661259
DeepCCS	[M+H]+	221.662	30932474
DeepCCS	[M-H]-	219.837	30932474
DeepCCS	[M-2H]-	253.079	30932474
DeepCCS	[M+Na]+	227.267	30932474
AllCCS	[M+H]+	237.7	32859911
AllCCS	[M+H-H2O]+	236.0	32859911
AllCCS	[M+NH4]+	239.1	32859911
AllCCS	[M+Na]+	239.6	32859911
AllCCS	[M-H]-	233.0	32859911
AllCCS	[M+Na-2H]-	234.9	32859911
AllCCS	[M+HCOO]-	237.1	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	3.25 minutes	32390414
Predicted by Siyang on May 30, 2022	10.9946 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	4.96 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	217.9 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	846.1 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	135.3 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	98.1 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	119.1 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	78.9 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	524.4 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	339.3 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	1016.3 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	623.7 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	276.6 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1003.3 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	177.7 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	254.2 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	549.4 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	618.5 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	542.1 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Gambiriin A1	OC(CC1=C(O)C=C(O)C=C1O)C(C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1OC(C(O)C2)C1=CC(O)=C(O)C=C1	7793.0	Standard polar	33892256
Gambiriin A1	OC(CC1=C(O)C=C(O)C=C1O)C(C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1OC(C(O)C2)C1=CC(O)=C(O)C=C1	5264.0	Standard non polar	33892256
Gambiriin A1	OC(CC1=C(O)C=C(O)C=C1O)C(C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1OC(C(O)C2)C1=CC(O)=C(O)C=C1	6183.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Gambiriin A1,1TMS,isomer #1	C[Si](C)(C)OC(CC1=C(O)C=C(O)C=C1O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5729.6	Semi standard non polar	33892256
Gambiriin A1,1TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5784.5	Semi standard non polar	33892256
Gambiriin A1,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5770.5	Semi standard non polar	33892256
Gambiriin A1,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5810.4	Semi standard non polar	33892256
Gambiriin A1,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5782.0	Semi standard non polar	33892256
Gambiriin A1,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5817.3	Semi standard non polar	33892256
Gambiriin A1,1TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC=C(O)C(O)=C3)OC2=C1C(C1=CC=C(O)C(O)=C1)C(O)CC1=C(O)C=C(O)C=C1O	5770.0	Semi standard non polar	33892256
Gambiriin A1,1TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C(C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	5765.0	Semi standard non polar	33892256
Gambiriin A1,1TMS,isomer #8	C[Si](C)(C)OC1CC2=C(O)C=C(O)C(C(C3=CC=C(O)C(O)=C3)C(O)CC3=C(O)C=C(O)C=C3O)=C2OC1C1=CC=C(O)C(O)=C1	5708.5	Semi standard non polar	33892256
Gambiriin A1,1TMS,isomer #9	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5759.3	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5632.4	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5642.3	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=CC(O[Si](C)(C)C)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5617.2	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5695.4	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5664.4	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5642.3	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5627.6	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5677.1	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #17	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5647.8	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5625.7	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5749.1	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5675.2	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5716.7	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5694.7	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5672.0	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5729.2	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5700.8	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5661.9	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #26	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5687.7	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #27	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5669.6	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5714.8	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #29	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5677.6	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5708.9	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #30	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5665.3	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5695.9	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5726.8	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5704.1	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5752.3	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5715.5	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5695.0	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #37	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	5631.4	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #38	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5700.7	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #39	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5667.7	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #4	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5669.9	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)OC2=C1C(C1=CC=C(O)C(O)=C1)C(O)CC1=C(O)C=C(O)C=C1O	5645.3	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=C(C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	5630.5	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5677.1	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #43	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5650.1	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #44	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5667.7	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #45	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5649.1	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #46	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5643.7	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC=C(O)C(O)=C3)OC2=C1C(C1=CC=C(O)C(O)=C1)C(CC1=C(O)C=C(O)C=C1O)O[Si](C)(C)C	5652.3	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C(C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	5639.0	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5681.6	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #8	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5653.6	Semi standard non polar	33892256
Gambiriin A1,2TMS,isomer #9	C[Si](C)(C)OC1CC2=C(O)C=C(O)C(C(C3=CC=C(O)C(O)=C3)C(CC3=C(O)C=C(O)C=C3O)O[Si](C)(C)C)=C2OC1C1=CC=C(O)C(O)=C1	5615.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5540.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5634.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #100	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5611.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #101	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5576.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #102	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5569.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #103	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5615.5	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #104	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5645.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #105	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5606.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #106	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5596.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #107	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5614.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #108	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5586.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #109	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5596.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5589.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #110	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5617.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #111	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5676.8	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #112	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5646.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #113	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5614.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #114	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5661.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #115	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5632.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #116	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5602.7	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #117	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5649.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #118	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5639.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #119	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5631.5	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5590.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #120	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	5539.5	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #121	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5605.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #122	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5581.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #123	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5590.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #124	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5593.8	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #125	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5575.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #126	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5574.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #127	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5561.7	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #128	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5582.8	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #129	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5563.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5583.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5622.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5590.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5564.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5603.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5600.7	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5637.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC(O[Si](C)(C)C)=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5509.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5603.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5595.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O[Si](C)(C)C	5589.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #23	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5564.5	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #24	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5563.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5593.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #26	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5558.5	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #27	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5554.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #28	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	5550.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5591.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5576.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #30	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5564.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)OC2=C1C(C1=CC=C(O)C(O)=C1)C(CC1=C(O)C=C(O)C=C1O)O[Si](C)(C)C	5543.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=C(C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	5532.3	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5586.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #34	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5561.8	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5567.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O[Si](C)(C)C	5564.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #37	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5552.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #38	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5515.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5606.5	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #4	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	5531.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5556.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5566.8	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5560.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #43	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5608.5	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #44	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5575.3	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #45	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)=C1	5545.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #46	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5564.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #47	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5516.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=CC(O[Si](C)(C)C)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5539.3	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=CC(O[Si](C)(C)C)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5527.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5537.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #50	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5561.7	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #51	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5534.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=CC(O[Si](C)(C)C)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5511.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5604.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5594.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5648.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5616.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #57	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5584.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #58	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5592.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #59	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5554.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5532.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #60	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5547.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #61	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5584.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #62	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5544.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #63	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5545.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5546.8	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #65	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5601.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #66	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5572.8	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #67	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5537.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5585.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #69	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5559.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5561.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #70	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5527.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #71	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5563.5	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #72	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5567.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #73	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5547.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #74	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5646.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #75	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5659.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #76	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5652.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5706.8	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5671.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5644.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #8	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	5529.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #80	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5616.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #81	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5607.5	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #82	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5653.5	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #83	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5610.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #84	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5606.1	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #85	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5594.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #86	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5657.7	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #87	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5627.7	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #88	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5586.2	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #89	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5645.7	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5514.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #90	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5617.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #91	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5578.0	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #92	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5623.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #93	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5622.4	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #94	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5606.6	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #95	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5582.8	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #96	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5630.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #97	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5593.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #98	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5577.9	Semi standard non polar	33892256
Gambiriin A1,3TMS,isomer #99	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5618.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #1	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5392.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #10	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	5357.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #100	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5505.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #101	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5479.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #102	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5464.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #103	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5475.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #104	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5432.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #105	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)=C1	5502.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #106	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5388.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #107	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5389.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #108	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5353.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #109	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5311.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=CC(O[Si](C)(C)C)=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5414.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #110	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)=C1	5439.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #111	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5451.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #112	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5476.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #113	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5439.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #114	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)=C1	5469.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #115	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5458.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #116	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5426.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #117	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)=C1	5451.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #118	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5495.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #119	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)=C1	5492.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=CC(O[Si](C)(C)C)=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5403.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #120	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)=C1	5471.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #121	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5435.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #122	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5422.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #123	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5418.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #124	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5378.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #125	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5455.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #126	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5459.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #127	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5355.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #128	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5354.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #129	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5308.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5407.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #130	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5273.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #131	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5395.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #132	C[Si](C)(C)OC1=CC(O)=CC(O[Si](C)(C)C)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5412.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #133	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5428.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #134	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5396.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #135	C[Si](C)(C)OC1=CC(O)=CC(O[Si](C)(C)C)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5434.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #136	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5415.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #137	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5383.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #138	C[Si](C)(C)OC1=CC(O)=CC(O[Si](C)(C)C)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5414.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #139	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5443.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #14	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	5380.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #140	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5450.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #141	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5425.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #142	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5461.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #143	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5481.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #144	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5432.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #145	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5505.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #146	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5502.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #147	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5451.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #148	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5408.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #149	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5481.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=CC(O[Si](C)(C)C)=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5397.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #150	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5500.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #151	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5497.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #152	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5533.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #153	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5518.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #154	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5506.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #155	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5454.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #156	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5516.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #157	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5385.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #158	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5354.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #159	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5308.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5447.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #160	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5437.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #161	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5346.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #162	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5308.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #163	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5427.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #164	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5437.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #165	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5424.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #166	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5409.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #167	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5458.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #168	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5426.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #169	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5454.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5434.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #170	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5491.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #171	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5496.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #172	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5473.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #173	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O	5464.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #174	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5480.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #175	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)=CC=C1O	5449.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #176	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5498.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #177	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5568.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #178	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5562.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #179	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5578.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5452.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #180	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5529.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #181	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5577.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #182	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5524.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #183	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5562.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #184	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5508.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #185	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5570.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #186	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5520.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #187	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5481.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #188	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5544.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #189	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5592.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5408.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #190	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5607.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #191	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5578.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #192	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5448.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #193	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5423.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #194	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5377.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #195	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5502.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #196	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5416.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #197	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5378.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #198	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5489.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #199	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5495.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5448.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5455.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #200	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5513.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #201	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5481.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #202	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5519.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #203	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5488.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #204	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5502.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #205	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5560.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #206	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5552.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #207	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5535.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #208	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5541.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #209	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5525.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C	5463.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #210	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5509.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #211	C[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5555.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #212	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5412.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #213	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5370.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #214	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5482.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #215	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5555.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #216	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5566.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #217	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5504.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #218	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5490.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #219	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5522.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #22	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	5384.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #220	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5476.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #221	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5568.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #222	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5545.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #223	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5480.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #224	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5476.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #225	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5509.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #226	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5461.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #227	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5547.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #228	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5581.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #229	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5579.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #23	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	5378.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #230	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5529.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #231	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5561.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #232	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5528.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #233	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5481.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #234	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5540.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #235	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5596.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #236	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5582.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #237	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5569.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #238	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5562.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #239	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5554.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5361.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #240	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5543.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #241	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5600.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #242	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	5513.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #243	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	5499.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #244	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5529.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #245	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5546.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #246	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C	5518.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #25	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	5323.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #26	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	5399.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5433.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5439.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #29	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	5409.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5387.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5434.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5425.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #32	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	5400.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5414.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5436.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C	5448.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #36	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	5419.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5520.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5500.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5487.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5440.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5518.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5474.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5516.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #43	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5432.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #44	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5427.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #45	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5412.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5373.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5454.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	5474.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5491.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5429.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5461.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5479.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	5475.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #53	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5451.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #54	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5455.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #55	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(O)=C1	5503.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5495.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #57	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(O)=C1	5479.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #58	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5484.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #59	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5515.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5438.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #60	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5472.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #61	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5517.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #62	C[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O[Si](C)(C)C	5520.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #63	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5482.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #64	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5445.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #65	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5488.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #66	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O[Si](C)(C)C	5506.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #67	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5527.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5538.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #69	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5532.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5409.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5517.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #71	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5486.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #72	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O[Si](C)(C)C	5514.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #73	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5424.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #74	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5419.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #75	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5374.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #76	C[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5454.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #77	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5400.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #78	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5368.2	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #79	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5435.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)=C1	5423.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #80	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5463.8	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #81	C[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5453.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #82	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5440.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #83	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	5455.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #84	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5470.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #85	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5443.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #86	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5491.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #87	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O[Si](C)(C)C	5498.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #88	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5475.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #89	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O	5465.1	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O[Si](C)(C)C)C=C(O)C=C2O[Si](C)(C)C)O[Si](C)(C)C)C=C1O	5414.9	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #90	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)=CC=C1O	5452.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #91	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O[Si](C)(C)C	5483.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #92	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C)C=C1O[Si](C)(C)C	5493.6	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #93	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5416.7	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #94	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5335.0	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #95	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5415.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #96	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5409.4	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #97	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5407.3	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #98	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C3)C(O[Si](C)(C)C)=C1	5372.5	Semi standard non polar	33892256
Gambiriin A1,4TMS,isomer #99	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)=C1	5410.7	Semi standard non polar	33892256
Gambiriin A1,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(CC1=C(O)C=C(O)C=C1O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	6015.1	Semi standard non polar	33892256
Gambiriin A1,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	6022.2	Semi standard non polar	33892256
Gambiriin A1,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5995.0	Semi standard non polar	33892256
Gambiriin A1,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	6029.8	Semi standard non polar	33892256
Gambiriin A1,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	6024.6	Semi standard non polar	33892256
Gambiriin A1,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	6051.0	Semi standard non polar	33892256
Gambiriin A1,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC=C(O)C(O)=C3)OC2=C1C(C1=CC=C(O)C(O)=C1)C(O)CC1=C(O)C=C(O)C=C1O	5994.1	Semi standard non polar	33892256
Gambiriin A1,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	5984.7	Semi standard non polar	33892256
Gambiriin A1,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(O)C(C(C3=CC=C(O)C(O)=C3)C(O)CC3=C(O)C=C(O)C=C3O)=C2OC1C1=CC=C(O)C(O)=C1	5983.2	Semi standard non polar	33892256
Gambiriin A1,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	6008.8	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	6190.6	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O[Si](C)(C)C(C)(C)C)=C1	6199.6	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	6180.5	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C(C)(C)C)C=C1O	6276.7	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C(C)(C)C)=CC=C1O	6245.7	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	6220.7	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	6202.7	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C(C)(C)C)C=C1O	6246.9	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O[Si](C)(C)C(C)(C)C)=CC=C1O	6228.5	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O)=C1CC(O)C(C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C(C)(C)C)C2	6189.7	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	6318.6	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CC(O[Si](C)(C)C(C)(C)C)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	6222.6	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	6291.3	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	6258.0	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)=C1	6238.6	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C3)C(O)=C1	6291.6	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C3)C(O)=C1	6276.4	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CC(O)C(C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C3)C(O)=C1	6221.8	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(C(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	6280.9	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	6266.0	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	6293.8	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	6276.3	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C(C)(C)C)C=C1O	6275.3	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	6245.9	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C(C)(C)C	6260.0	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	6303.8	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	6288.1	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	6318.0	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	6304.2	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC=C(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C3)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	6266.1	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	6213.0	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	6277.7	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	6266.2	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)C(O)C3)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	6247.7	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)OC2=C1C(C1=CC=C(O)C(O)=C1)C(O)CC1=C(O)C=C(O)C=C1O	6210.7	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C2=C1CC(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	6200.7	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	6259.7	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	6245.8	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O	6236.6	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)=CC=C1O	6226.7	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(O)CC2=C(O)C=C(O)C=C2O)C=C1O[Si](C)(C)C(C)(C)C	6219.3	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC=C(O)C(O)=C3)OC2=C1C(C1=CC=C(O)C(O)=C1)C(CC1=C(O)C=C(O)C=C1O)O[Si](C)(C)C(C)(C)C	6218.0	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C(C)(C)C)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	6206.0	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C(C)(C)C)C=C1O	6246.7	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C(C2=CC=C(O)C(O)=C2)C(CC2=C(O)C=C(O)C=C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	6234.8	Semi standard non polar	33892256
Gambiriin A1,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(O)C(C(C3=CC=C(O)C(O)=C3)C(CC3=C(O)C=C(O)C=C3O)O[Si](C)(C)C(C)(C)C)=C2OC1C1=CC=C(O)C(O)=C1	6192.4	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (Non-derivatized) - 70eV, Positive	splash10-03dr-0800920000-e53ea4131f6d664b4303	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (1 TMS) - 70eV, Positive	splash10-01w0-8930353000-742c4ffad707d06d1ef2	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS ("Gambiriin A1,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gambiriin A1 GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 10V, Positive-QTOF	splash10-03e9-0210590000-2c492b12338eeb74384d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 20V, Positive-QTOF	splash10-000i-0620930000-684382dcf316a21f5adc	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 40V, Positive-QTOF	splash10-0079-0951110000-c566600266f6c0866fb1	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 10V, Positive-QTOF	splash10-03e9-0210590000-2c492b12338eeb74384d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 20V, Positive-QTOF	splash10-000i-0620930000-684382dcf316a21f5adc	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 40V, Positive-QTOF	splash10-0079-0951110000-c566600266f6c0866fb1	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 10V, Negative-QTOF	splash10-004i-0200290000-230e566b7ae4921145a9	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 20V, Negative-QTOF	splash10-004i-0920120000-098a211563aeb89ea75e	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 40V, Negative-QTOF	splash10-00ri-0930000000-ae3e11a0b74a050d99ba	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 10V, Negative-QTOF	splash10-004i-0200290000-230e566b7ae4921145a9	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 20V, Negative-QTOF	splash10-004i-0920120000-098a211563aeb89ea75e	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 40V, Negative-QTOF	splash10-00ri-0930000000-ae3e11a0b74a050d99ba	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 10V, Negative-QTOF	splash10-004i-0000490000-5f3e2fa4b9ca099ee8ce	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 20V, Negative-QTOF	splash10-0f9l-1911240000-58ab2dc0e5e6666ae71b	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 40V, Negative-QTOF	splash10-007c-1941430000-144f32260326f6a5b28c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 10V, Positive-QTOF	splash10-03e9-0205890000-972ed27fe21e91056fc0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 20V, Positive-QTOF	splash10-03mr-0824920000-79377750d7a28fbc00f2	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gambiriin A1 40V, Positive-QTOF	splash10-0h90-1904440000-00acbacbbaff8f1f4ef0	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

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

FDB017694

KNApSAcK ID

C00008928

Chemspider ID

35014551

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

56961712

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1867581

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Gambiriin A1 (HMDB0038357)

MOL for HMDB0038357 (Gambiriin A1)

3D MOL for HMDB0038357 (Gambiriin A1)

3D SDF for HMDB0038357 (Gambiriin A1)

3D-SDF for HMDB0038357 (Gambiriin A1)

PDB for HMDB0038357 (Gambiriin A1)

3D PDB for HMDB0038357 (Gambiriin A1)

SMILES for HMDB0038357 (Gambiriin A1)

INCHI for HMDB0038357 (Gambiriin A1)

Structure for HMDB0038357 (Gambiriin A1)

3D Structure for HMDB0038357 (Gambiriin A1)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra