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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:35:37 UTC

Update Date

2022-03-07 02:52:28 UTC

HMDB ID

HMDB0030235

Secondary Accession Numbers

HMDB30235

Metabolite Identification

Common Name

eq-4''-Hydroxymaysin

Description

eq-4''-Hydroxymaysin belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Based on a literature review very few articles have been published on eq-4''-Hydroxymaysin.

Structure

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

  Mrv0541 02241209132D          

 41 45  0  0  0  0            999 V2000
   -1.2216    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2216   -0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5076   -0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2049   -0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2049    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5076    1.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9189   -0.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6316   -0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6316    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9189    1.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9189    2.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5076    2.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9369   -0.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469   -0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469   -1.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0609   -1.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7735   -1.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7735   -0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0609   -0.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4889   -0.0529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4889   -1.7038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9357    1.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9329    2.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6468    2.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3636    2.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3636    1.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6468    0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6454    3.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0790    2.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0790    0.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596    0.0530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7735   -1.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7735   -2.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596   -2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469   -2.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469   -1.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4889   -2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596   -3.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242   -2.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6041   -1.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 38  1  0  0  0  0
 35 36  1  0  0  0  0
 35 39  1  0  0  0  0
 36 37  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
M  END

HMDB0030235
     RDKit          3D
eq-4''-Hydroxymaysin
 71 75  0  0  0  0  0  0  0  0999 V2000
   -4.1871   -1.6753    1.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4866   -2.4061    0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.6755   -0.1548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0394   -0.5587   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0933    0.4449   -1.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2303    1.5197   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715    2.0163    0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787    1.3287    0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575    1.4633    1.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947    2.1830    2.8105 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1903    0.9421    1.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444    0.2260    0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9368   -0.2699    1.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5769   -0.9558    0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9066   -1.4766    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4689   -1.2639    1.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7323   -1.7373    1.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676   -2.4185    0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7384   -2.8611    1.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9093   -2.6288   -0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6539   -3.3068   -1.2239 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6386   -2.1500   -0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9293   -1.1652   -1.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6605   -0.6651   -1.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296   -0.8853   -2.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0473    0.0590   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7632    0.6021   -0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1302    0.4088   -1.5807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006    2.8162    1.5311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0265    3.9931    1.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    4.7425    2.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9949    3.8581   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3106    3.8693    0.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7358    2.7463   -1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7258    3.1727   -1.9270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5283   -1.1112   -2.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4841   -1.9471   -2.5804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6798   -2.0510   -1.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9092   -1.3731   -1.8063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4581   -2.9164   -0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1611   -4.2285   -1.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1945   -1.3295    1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112   -0.8050    1.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250   -2.3468    2.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0113   -3.3128    0.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7788   -0.2245   -0.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1411    1.3888    0.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6919    2.9151   -0.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939    2.3777    3.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7322    1.0820    2.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9093   -0.7444    2.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1865   -1.5819    2.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2587   -3.3600    0.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559   -3.5133   -2.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2639   -2.3544   -1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4222   -1.7384   -1.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2077    0.0079   -2.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345    4.6046    0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1020    5.6748    2.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7181    5.0040    1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6352    4.1346    3.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9199    4.8124   -0.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4886    2.9806    0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6501    2.5049   -1.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    3.8822   -2.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8223   -0.3852   -2.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5139   -2.7734   -2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7444   -2.7329   -2.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0755   -1.0535   -2.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4605   -2.9713   -0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3857   -4.8078   -0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
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 11 12  2  0
 12 13  1  0
 13 14  1  0
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 15 16  2  0
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 20 21  1  0
 20 22  2  0
 14 23  2  0
 23 24  1  0
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 24 26  1  0
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 27 28  1  0
  7 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  4 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40  2  1  0
 34  6  1  0
 27  8  1  0
 26 12  1  0
 22 15  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  4 46  1  0
  6 47  1  0
  7 48  1  0
 10 49  1  0
 11 50  1  0
 16 51  1  0
 17 52  1  0
 19 53  1  0
 21 54  1  0
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 23 56  1  0
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 30 58  1  0
 31 59  1  0
 31 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
M  END

  Mrv0541 02241209132D          

 41 45  0  0  0  0            999 V2000
   -1.2216    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2216   -0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5076   -0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2049   -0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2049    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5076    1.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9189   -0.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6316   -0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6316    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9189    1.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9189    2.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5076    2.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9369   -0.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469   -0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469   -1.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0609   -1.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4889   -1.7038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6454    3.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0790    2.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0596    0.0530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7735   -1.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7735   -2.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596   -2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469   -2.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469   -1.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4889   -2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596   -3.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242   -2.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6041   -1.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 38  1  0  0  0  0
 35 36  1  0  0  0  0
 35 39  1  0  0  0  0
 36 37  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0030235

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2C(O)C(O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22-29,31-37H,1-2H3

> <INCHI_KEY>
QXHHBGFIPDPRAX-UHFFFAOYSA-N

> <FORMULA>
C27H30O14

> <MOLECULAR_WEIGHT>
578.5187

> <EXACT_MASS>
578.163555668

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
56.972767953496685

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-{4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

> <ALOGPS_LOGP>
0.81

> <JCHEM_LOGP>
-0.03121280533333365

> <ALOGPS_LOGS>
-2.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.489449672716981

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.196517192384065

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6121826114733837

> <JCHEM_POLAR_SURFACE_AREA>
236.05999999999995

> <JCHEM_REFRACTIVITY>
137.33900000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.85e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-{4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0030235
     RDKit          3D
eq-4''-Hydroxymaysin
 71 75  0  0  0  0  0  0  0  0999 V2000
   -4.1871   -1.6753    1.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4866   -2.4061    0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.6755   -0.1548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0394   -0.5587   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0933    0.4449   -1.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2303    1.5197   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715    2.0163    0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787    1.3287    0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575    1.4633    1.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947    2.1830    2.8105 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1903    0.9421    1.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444    0.2260    0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9368   -0.2699    1.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5769   -0.9558    0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9066   -1.4766    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4689   -1.2639    1.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7323   -1.7373    1.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676   -2.4185    0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7384   -2.8611    1.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9093   -2.6288   -0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6539   -3.3068   -1.2239 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6386   -2.1500   -0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9293   -1.1652   -1.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6605   -0.6651   -1.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296   -0.8853   -2.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0473    0.0590   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7632    0.6021   -0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1302    0.4088   -1.5807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006    2.8162    1.5311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0265    3.9931    1.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    4.7425    2.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9949    3.8581   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3106    3.8693    0.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7358    2.7463   -1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7258    3.1727   -1.9270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5283   -1.1112   -2.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4841   -1.9471   -2.5804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6798   -2.0510   -1.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9092   -1.3731   -1.8063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4581   -2.9164   -0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1611   -4.2285   -1.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1945   -1.3295    1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112   -0.8050    1.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250   -2.3468    2.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0113   -3.3128    0.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7788   -0.2245   -0.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1411    1.3888    0.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6919    2.9151   -0.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939    2.3777    3.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7322    1.0820    2.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9093   -0.7444    2.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1865   -1.5819    2.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2587   -3.3600    0.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559   -3.5133   -2.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2639   -2.3544   -1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4222   -1.7384   -1.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2077    0.0079   -2.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345    4.6046    0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1020    5.6748    2.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7181    5.0040    1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6352    4.1346    3.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9199    4.8124   -0.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4886    2.9806    0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6501    2.5049   -1.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    3.8822   -2.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8223   -0.3852   -2.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5139   -2.7734   -2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7444   -2.7329   -2.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0755   -1.0535   -2.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4605   -2.9713   -0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3857   -4.8078   -0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 14 23  2  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
  7 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  4 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40  2  1  0
 34  6  1  0
 27  8  1  0
 26 12  1  0
 22 15  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  4 46  1  0
  6 47  1  0
  7 48  1  0
 10 49  1  0
 11 50  1  0
 16 51  1  0
 17 52  1  0
 19 53  1  0
 21 54  1  0
 22 55  1  0
 23 56  1  0
 28 57  1  0
 30 58  1  0
 31 59  1  0
 31 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -2.280   1.442   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.280  -0.099   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.948  -0.869   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.382  -0.099   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.382   1.442   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.948   2.210   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.715  -0.869   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.046  -0.099   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.046   1.442   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.715   2.210   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.715   3.751   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -0.948   3.751   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -3.616  -0.869   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.381  -0.869   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.381  -2.410   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.714  -3.180   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.044  -2.410   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.044  -0.869   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.714  -0.101   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.379  -0.099   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       8.379  -3.180   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -3.613   2.212   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -3.608   3.753   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -4.941   4.526   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -6.279   3.753   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -6.279   2.212   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.941   1.434   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.938   6.067   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -7.614   4.523   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -7.614   1.445   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -5.711   0.099   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -5.711  -1.442   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -7.044  -2.215   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -7.044  -3.756   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.711  -4.526   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -4.381  -3.756   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.381  -2.215   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -8.379  -4.526   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -5.711  -6.067   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -3.405  -5.142   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -2.994  -2.269   0.000  0.00  0.00           O+0
CONECT    1    2    6   22                                                  
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6   10                                                  
CONECT    6    1    5   12                                                  
CONECT    7    4    8                                                       
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    5    9   11                                                  
CONECT   11   10                                                            
CONECT   12    6                                                            
CONECT   13    2                                                            
CONECT   14    8   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   19   20                                                  
CONECT   19   14   18                                                       
CONECT   20   18                                                            
CONECT   21   17                                                            
CONECT   22    1   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   28                                                  
CONECT   25   24   26   29                                                  
CONECT   26   25   27   30                                                  
CONECT   27   22   26   31                                                  
CONECT   28   24                                                            
CONECT   29   25                                                            
CONECT   30   26                                                            
CONECT   31   27   32                                                       
CONECT   32   31   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   38                                                  
CONECT   35   34   36   39                                                  
CONECT   36   35   37   40                                                  
CONECT   37   32   36   41                                                  
CONECT   38   34                                                            
CONECT   39   35                                                            
CONECT   40   36                                                            
CONECT   41   37                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

COMPND    HMDB0030235
HETATM    1  C1  UNL     1      -4.187  -1.675   1.492  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.487  -2.406   0.391  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.421  -1.675  -0.155  1.00  0.00           O  
HETATM    4  C3  UNL     1      -3.039  -0.559  -0.809  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.093   0.445  -1.028  1.00  0.00           O  
HETATM    6  C4  UNL     1      -2.230   1.520  -0.269  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.072   2.016   0.480  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.179   1.329   0.616  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.957   1.463   1.779  1.00  0.00           C  
HETATM   10  O3  UNL     1       0.395   2.183   2.810  1.00  0.00           O  
HETATM   11  C8  UNL     1       2.190   0.942   1.934  1.00  0.00           C  
HETATM   12  C9  UNL     1       2.744   0.226   0.897  1.00  0.00           C  
HETATM   13  O4  UNL     1       3.937  -0.270   1.053  1.00  0.00           O  
HETATM   14  C10 UNL     1       4.577  -0.956   0.158  1.00  0.00           C  
HETATM   15  C11 UNL     1       5.907  -1.477   0.403  1.00  0.00           C  
HETATM   16  C12 UNL     1       6.469  -1.264   1.671  1.00  0.00           C  
HETATM   17  C13 UNL     1       7.732  -1.737   1.929  1.00  0.00           C  
HETATM   18  C14 UNL     1       8.468  -2.419   0.973  1.00  0.00           C  
HETATM   19  O5  UNL     1       9.738  -2.861   1.320  1.00  0.00           O  
HETATM   20  C15 UNL     1       7.909  -2.629  -0.286  1.00  0.00           C  
HETATM   21  O6  UNL     1       8.654  -3.307  -1.224  1.00  0.00           O  
HETATM   22  C16 UNL     1       6.639  -2.150  -0.534  1.00  0.00           C  
HETATM   23  C17 UNL     1       3.929  -1.165  -1.041  1.00  0.00           C  
HETATM   24  C18 UNL     1       2.660  -0.665  -1.263  1.00  0.00           C  
HETATM   25  O7  UNL     1       2.130  -0.885  -2.351  1.00  0.00           O  
HETATM   26  C19 UNL     1       2.047   0.059  -0.251  1.00  0.00           C  
HETATM   27  C20 UNL     1       0.763   0.602  -0.412  1.00  0.00           C  
HETATM   28  O8  UNL     1       0.130   0.409  -1.581  1.00  0.00           O  
HETATM   29  O9  UNL     1      -1.501   2.816   1.531  1.00  0.00           O  
HETATM   30  C21 UNL     1      -2.026   3.993   1.034  1.00  0.00           C  
HETATM   31  C22 UNL     1      -2.675   4.742   2.197  1.00  0.00           C  
HETATM   32  C23 UNL     1      -2.995   3.858  -0.076  1.00  0.00           C  
HETATM   33  O10 UNL     1      -4.311   3.869   0.408  1.00  0.00           O  
HETATM   34  C24 UNL     1      -2.736   2.746  -1.054  1.00  0.00           C  
HETATM   35  O11 UNL     1      -1.726   3.173  -1.927  1.00  0.00           O  
HETATM   36  C25 UNL     1      -3.528  -1.111  -2.105  1.00  0.00           C  
HETATM   37  O12 UNL     1      -2.484  -1.947  -2.580  1.00  0.00           O  
HETATM   38  C26 UNL     1      -4.680  -2.051  -1.808  1.00  0.00           C  
HETATM   39  O13 UNL     1      -5.909  -1.373  -1.806  1.00  0.00           O  
HETATM   40  C27 UNL     1      -4.458  -2.916  -0.621  1.00  0.00           C  
HETATM   41  O14 UNL     1      -4.161  -4.228  -1.002  1.00  0.00           O  
HETATM   42  H1  UNL     1      -5.195  -1.329   1.132  1.00  0.00           H  
HETATM   43  H2  UNL     1      -3.611  -0.805   1.870  1.00  0.00           H  
HETATM   44  H3  UNL     1      -4.425  -2.347   2.372  1.00  0.00           H  
HETATM   45  H4  UNL     1      -3.011  -3.313   0.868  1.00  0.00           H  
HETATM   46  H5  UNL     1      -3.779  -0.225  -0.087  1.00  0.00           H  
HETATM   47  H6  UNL     1      -3.141   1.389   0.459  1.00  0.00           H  
HETATM   48  H7  UNL     1      -0.692   2.915  -0.267  1.00  0.00           H  
HETATM   49  H8  UNL     1       0.794   2.378   3.706  1.00  0.00           H  
HETATM   50  H9  UNL     1       2.732   1.082   2.854  1.00  0.00           H  
HETATM   51  H10 UNL     1       5.909  -0.744   2.429  1.00  0.00           H  
HETATM   52  H11 UNL     1       8.187  -1.582   2.908  1.00  0.00           H  
HETATM   53  H12 UNL     1      10.259  -3.360   0.599  1.00  0.00           H  
HETATM   54  H13 UNL     1       8.356  -3.513  -2.158  1.00  0.00           H  
HETATM   55  H14 UNL     1       6.264  -2.354  -1.537  1.00  0.00           H  
HETATM   56  H15 UNL     1       4.422  -1.738  -1.836  1.00  0.00           H  
HETATM   57  H16 UNL     1       0.208   0.008  -2.435  1.00  0.00           H  
HETATM   58  H17 UNL     1      -1.135   4.605   0.708  1.00  0.00           H  
HETATM   59  H18 UNL     1      -2.102   5.675   2.374  1.00  0.00           H  
HETATM   60  H19 UNL     1      -3.718   5.004   1.900  1.00  0.00           H  
HETATM   61  H20 UNL     1      -2.635   4.135   3.106  1.00  0.00           H  
HETATM   62  H21 UNL     1      -2.920   4.812  -0.684  1.00  0.00           H  
HETATM   63  H22 UNL     1      -4.489   2.981   0.782  1.00  0.00           H  
HETATM   64  H23 UNL     1      -3.650   2.505  -1.591  1.00  0.00           H  
HETATM   65  H24 UNL     1      -2.062   3.882  -2.501  1.00  0.00           H  
HETATM   66  H25 UNL     1      -3.822  -0.385  -2.863  1.00  0.00           H  
HETATM   67  H26 UNL     1      -2.514  -2.773  -2.002  1.00  0.00           H  
HETATM   68  H27 UNL     1      -4.744  -2.733  -2.709  1.00  0.00           H  
HETATM   69  H28 UNL     1      -6.076  -1.053  -2.741  1.00  0.00           H  
HETATM   70  H29 UNL     1      -5.460  -2.971  -0.083  1.00  0.00           H  
HETATM   71  H30 UNL     1      -4.386  -4.808  -0.247  1.00  0.00           H  
CONECT    1    2   42   43   44
CONECT    2    3   40   45
CONECT    3    4
CONECT    4    5   36   46
CONECT    5    6
CONECT    6    7   34   47
CONECT    7    8   29   48
CONECT    8    9    9   27
CONECT    9   10   11
CONECT   10   49
CONECT   11   12   12   50
CONECT   12   13   26
CONECT   13   14
CONECT   14   15   23   23
CONECT   15   16   16   22
CONECT   16   17   51
CONECT   17   18   18   52
CONECT   18   19   20
CONECT   19   53
CONECT   20   21   22   22
CONECT   21   54
CONECT   22   55
CONECT   23   24   56
CONECT   24   25   25   26
CONECT   26   27   27
CONECT   27   28
CONECT   28   57
CONECT   29   30
CONECT   30   31   32   58
CONECT   31   59   60   61
CONECT   32   33   34   62
CONECT   33   63
CONECT   34   35   64
CONECT   35   65
CONECT   36   37   38   66
CONECT   37   67
CONECT   38   39   40   68
CONECT   39   69
CONECT   40   41   70
CONECT   41   71
END

HMDB0030235
     RDKit          3D
eq-4''-Hydroxymaysin
 71 75  0  0  0  0  0  0  0  0999 V2000
   -4.1871   -1.6753    1.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4866   -2.4061    0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.6755   -0.1548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0394   -0.5587   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0933    0.4449   -1.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2303    1.5197   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715    2.0163    0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787    1.3287    0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575    1.4633    1.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947    2.1830    2.8105 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1903    0.9421    1.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444    0.2260    0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9368   -0.2699    1.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5769   -0.9558    0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9066   -1.4766    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4689   -1.2639    1.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7323   -1.7373    1.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676   -2.4185    0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7384   -2.8611    1.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9093   -2.6288   -0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6539   -3.3068   -1.2239 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6386   -2.1500   -0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9293   -1.1652   -1.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6605   -0.6651   -1.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296   -0.8853   -2.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0473    0.0590   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7632    0.6021   -0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1302    0.4088   -1.5807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006    2.8162    1.5311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0265    3.9931    1.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    4.7425    2.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9949    3.8581   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3106    3.8693    0.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7358    2.7463   -1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7258    3.1727   -1.9270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5283   -1.1112   -2.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4841   -1.9471   -2.5804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6798   -2.0510   -1.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9092   -1.3731   -1.8063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4581   -2.9164   -0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1611   -4.2285   -1.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1945   -1.3295    1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112   -0.8050    1.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250   -2.3468    2.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0113   -3.3128    0.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7788   -0.2245   -0.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1411    1.3888    0.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6919    2.9151   -0.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939    2.3777    3.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7322    1.0820    2.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9093   -0.7444    2.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1865   -1.5819    2.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2587   -3.3600    0.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559   -3.5133   -2.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2639   -2.3544   -1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4222   -1.7384   -1.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2077    0.0079   -2.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345    4.6046    0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1020    5.6748    2.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7181    5.0040    1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6352    4.1346    3.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9199    4.8124   -0.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4886    2.9806    0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6501    2.5049   -1.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    3.8822   -2.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8223   -0.3852   -2.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5139   -2.7734   -2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7444   -2.7329   -2.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0755   -1.0535   -2.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4605   -2.9713   -0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3857   -4.8078   -0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 14 23  2  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
  7 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  4 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40  2  1  0
 34  6  1  0
 27  8  1  0
 26 12  1  0
 22 15  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  4 46  1  0
  6 47  1  0
  7 48  1  0
 10 49  1  0
 11 50  1  0
 16 51  1  0
 17 52  1  0
 19 53  1  0
 21 54  1  0
 22 55  1  0
 23 56  1  0
 28 57  1  0
 30 58  1  0
 31 59  1  0
 31 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₃₀O₁₄

Average Molecular Weight

578.5187

Monoisotopic Molecular Weight

578.163555668

IUPAC Name

6-{4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

Traditional Name

6-{4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

CAS Registry Number

170079-82-0

SMILES

CC1OC(OC2C(O)C(O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H30O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22-29,31-37H,1-2H3

InChI Key

QXHHBGFIPDPRAX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid C-glycosides

Alternative Parents

Substituents

Flavonoid c-glycoside
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Flavone
Phenolic glycoside
Glycosyl compound
O-glycosyl compound
Disaccharide
Chromone
Benzopyran
1-benzopyran
Catechol
Pyranone
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Oxane
Monocyclic benzene moiety
Pyran
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Polyol
Dialkyl ether
Organoheterocyclic compound
Oxacycle
Acetal
Ether
Organic oxide
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0030235)
Cytoplasm (HMDB: HMDB0030235)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0030235)

Source

Exogenous

Food

Food (HMDB: HMDB0030235)

Cereal and cereal product

Cereal product

Breakfast cereal (FooDB: FOOD00270)

Cereals and cereal products (FooDB: FOOD00858)

Exogenous (HMDB: HMDB0030235)

Endogenous

Plant

Plant (HMDB: HMDB0030235)
Poaceae (HMDB: HMDB0030235)

Endogenous (HMDB: HMDB0030235)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	212 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.85 g/L	ALOGPS
logP	0.81	ALOGPS
logP	-0.031	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	6.2	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	236.06 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	137.34 m³·mol⁻¹	ChemAxon
Polarizability	56.97 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	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	226.402	30932474
DeepCCS	[M-H]-	224.248	30932474
DeepCCS	[M-2H]-	257.488	30932474
DeepCCS	[M+Na]+	232.309	30932474
AllCCS	[M+H]+	232.1	32859911
AllCCS	[M+H-H2O]+	230.6	32859911
AllCCS	[M+NH4]+	233.5	32859911
AllCCS	[M+Na]+	233.9	32859911
AllCCS	[M-H]-	230.5	32859911
AllCCS	[M+Na-2H]-	232.9	32859911
AllCCS	[M+HCOO]-	235.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
eq-4''-Hydroxymaysin	CC1OC(OC2C(O)C(O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	6294.3	Standard polar	33892256
eq-4''-Hydroxymaysin	CC1OC(OC2C(O)C(O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	4941.5	Standard non polar	33892256
eq-4''-Hydroxymaysin	CC1OC(OC2C(O)C(O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5493.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
eq-4''-Hydroxymaysin,1TMS,isomer #1	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5336.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TMS,isomer #2	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5334.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TMS,isomer #3	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5343.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TMS,isomer #4	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O)C(O)C1O	5293.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TMS,isomer #5	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5361.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TMS,isomer #6	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5362.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TMS,isomer #7	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5324.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TMS,isomer #8	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5338.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TMS,isomer #9	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5345.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #1	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5283.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #10	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5286.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #11	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5263.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #12	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5248.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #13	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5259.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #14	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5270.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #15	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5280.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #16	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5265.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #17	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5247.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #18	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O)C(O)C1O	5282.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #19	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5276.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #2	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5283.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #20	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5275.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #21	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5296.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #22	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O)C(O)C1O	5246.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #23	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O)C(O)C1O	5227.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #24	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5243.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #25	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5237.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #26	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5264.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #27	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5268.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #28	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5285.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #29	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5270.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #3	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5259.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #30	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5297.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #31	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5264.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #32	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5243.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #33	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5274.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #34	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5272.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #35	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5268.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #36	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5286.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #4	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5247.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #5	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5295.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #6	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5269.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #7	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5270.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #8	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5277.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TMS,isomer #9	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5289.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #1	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5106.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #10	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5178.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #11	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5138.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #12	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5089.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #13	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5142.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #14	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5032.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #15	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5151.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #16	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5108.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #17	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5062.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #18	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5114.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #19	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5125.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #2	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5082.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #20	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5097.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #21	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5078.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #22	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5121.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #23	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5177.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #24	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5168.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #25	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5193.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #26	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5169.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #27	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5168.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #28	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	5166.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #29	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5128.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #3	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5135.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #30	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5099.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #31	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5154.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #32	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5166.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #33	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5155.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #34	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5197.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #35	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5167.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #36	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5079.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #37	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5149.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #38	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5108.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #39	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5161.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #4	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5194.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #40	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5050.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #41	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5117.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #42	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5077.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #43	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5130.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #44	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5105.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #45	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5094.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #46	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5140.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #47	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5175.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #48	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5174.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #49	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5174.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #5	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5156.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #50	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5147.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #51	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O)C(O)C1O	5107.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #52	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5136.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #53	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5085.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #54	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5147.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #55	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O)C(O)C1O	5089.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #56	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5108.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #57	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5061.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #58	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5124.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #59	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5147.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #6	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5141.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #60	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5123.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #61	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5168.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #62	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5179.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #63	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5183.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #64	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5181.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #65	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O)C(O)C1O	5113.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #66	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5086.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #67	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5034.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #68	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5101.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #69	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5058.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #7	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5179.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #70	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5006.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #71	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5078.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #72	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5114.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #73	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5119.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #74	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5112.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #75	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5163.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #76	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5126.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #77	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5176.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #78	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5160.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #79	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5170.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #8	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5153.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #80	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5157.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #81	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5129.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #82	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5137.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #83	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5129.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #84	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5193.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,3TMS,isomer #9	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5057.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #1	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4980.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #10	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4851.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #100	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	4964.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #101	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	4947.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #102	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4894.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #103	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4840.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #104	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	4938.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #105	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4916.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #106	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	4941.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #107	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	4927.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #108	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4939.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #109	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	4976.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #11	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	4938.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #110	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	4963.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #111	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5015.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #112	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4928.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #113	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4869.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #114	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	4968.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #115	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4861.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #116	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	4895.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #117	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	4883.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #118	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4835.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #119	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	4868.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #12	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4981.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #120	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	4858.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #121	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4940.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #122	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4981.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #123	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5012.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #124	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	4986.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #125	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4970.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #126	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4946.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #13	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4929.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #14	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4884.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #15	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	4958.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #16	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5004.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #17	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4978.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #18	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5032.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #19	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4968.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #2	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4893.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #20	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4995.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #21	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4974.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #22	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4908.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #23	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5019.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #24	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4978.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #25	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4933.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #26	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5003.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #27	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4905.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #28	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4849.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #29	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4803.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #3	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4968.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #30	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	4886.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #31	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4967.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #32	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4923.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #33	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4986.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #34	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4924.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #35	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4951.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #36	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4925.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #37	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4880.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #38	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4823.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #39	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4774.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #4	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4919.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #40	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	4862.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #41	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4946.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #42	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4899.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #43	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4966.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #44	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4899.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #45	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4930.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #46	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4904.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #47	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4937.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #48	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4916.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #49	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4965.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #5	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4877.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #50	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4891.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #51	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4925.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #52	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4914.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #53	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5015.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #54	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5045.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #55	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5030.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #56	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5013.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #57	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4998.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #58	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4916.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #59	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4935.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #6	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	4956.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #60	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4893.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #61	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4973.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #62	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4890.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #63	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4911.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #64	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4867.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #65	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4952.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #66	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4954.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #67	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4916.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #68	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4991.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #69	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4992.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #7	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4871.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #70	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5016.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #71	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4996.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #72	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4927.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #73	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4998.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #74	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4950.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #75	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5026.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #76	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4865.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #77	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4819.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #78	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4903.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #79	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4944.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #8	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4946.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #80	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4972.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #81	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4946.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #82	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4835.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #83	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4788.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #84	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4877.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #85	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4919.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #86	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4950.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #87	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4923.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #88	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4913.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #89	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4943.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #9	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4898.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #90	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4934.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #91	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5022.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #92	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O)C(O)C1O	4987.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #93	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4998.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #94	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4946.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #95	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5034.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #96	CC1OC(OC2C(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)OC(C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4915.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #97	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4865.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #98	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	4961.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,4TMS,isomer #99	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4937.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TBDMS,isomer #1	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5554.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TBDMS,isomer #2	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5558.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TBDMS,isomer #3	CC1OC(OC2C(C3=C(O[Si](C)(C)C(C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5518.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TBDMS,isomer #4	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C(C)(C)C)OC(C)C(O)C2O)C(O)C(O)C1O	5505.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TBDMS,isomer #5	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5541.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TBDMS,isomer #6	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5534.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TBDMS,isomer #7	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5548.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TBDMS,isomer #8	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5565.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,1TBDMS,isomer #9	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	5573.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #1	CC1OC(OC2C(C3=C(O[Si](C)(C)C(C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5645.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #10	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5672.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #11	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5640.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #12	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C(C)(C)C)OC(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5643.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #13	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5657.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #14	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5666.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #15	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5686.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #16	CC1OC(OC2C(C3=C(O[Si](C)(C)C(C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5657.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #17	CC1OC(OC2C(C3=C(O[Si](C)(C)C(C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5630.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #18	CC1OC(OC2C(C3=C(O[Si](C)(C)C(C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C(C)(C)C)OC(C)C(O)C2O)C(O)C(O)C1O	5660.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #19	CC1OC(OC2C(C3=C(O[Si](C)(C)C(C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5639.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #2	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5655.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #20	CC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5641.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #21	CC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	5673.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #22	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C(C)(C)C)OC(C)C(O)C2O)C(O)C(O)C1O	5635.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #23	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C(C)(C)C)OC(C)C(O)C2O)C(O)C(O)C1O	5607.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #24	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C(C)(C)C)OC(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5617.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #25	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5619.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #26	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	5653.8	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #27	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O)C(O)C1O	5650.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #28	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5648.2	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #29	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5650.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #3	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5623.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #30	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	5685.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #31	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5615.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #32	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5615.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #33	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	5655.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #34	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	5663.7	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #35	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	5674.9	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #36	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5685.5	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #4	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C(C)(C)C)OC(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5622.1	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #5	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5690.4	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #6	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5653.3	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #7	CC1OC(OC2C(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5654.0	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #8	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5671.6	Semi standard non polar	33892256
eq-4''-Hydroxymaysin,2TBDMS,isomer #9	CC1OC(OC2C(C3=C(O[Si](C)(C)C(C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)OC(C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5665.6	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 - eq-4''-Hydroxymaysin GC-MS (Non-derivatized) - 70eV, Positive	splash10-01ot-4123490000-6ea71c70a97b3959e139	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (1 TMS) - 70eV, Positive	splash10-00gs-8525459000-245647b649bbcf5bced0	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS ("eq-4''-Hydroxymaysin,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - eq-4''-Hydroxymaysin GC-MS (TMS_2_14) - 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 - eq-4''-Hydroxymaysin 10V, Positive-QTOF	splash10-02cr-0100970000-7ae226eeac7216da8242	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - eq-4''-Hydroxymaysin 20V, Positive-QTOF	splash10-00lr-0300900000-9c8e26cf0b98d59c6fb4	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - eq-4''-Hydroxymaysin 40V, Positive-QTOF	splash10-015a-3938810000-26ddfc6ac53c3eb0e4ef	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - eq-4''-Hydroxymaysin 10V, Negative-QTOF	splash10-004i-1211590000-2a47a492ede30f2498e4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - eq-4''-Hydroxymaysin 20V, Negative-QTOF	splash10-08gi-2516930000-97446818d48e10ec2228	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - eq-4''-Hydroxymaysin 40V, Negative-QTOF	splash10-03dj-6916300000-cc808630fd520809946b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - eq-4''-Hydroxymaysin 10V, Negative-QTOF	splash10-004i-0000090000-205d908166a11e471cd9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - eq-4''-Hydroxymaysin 20V, Negative-QTOF	splash10-004i-0000090000-6ecc991f16d1ad27701f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - eq-4''-Hydroxymaysin 40V, Negative-QTOF	splash10-004i-0922550000-b392f4176bd01bd6a0a4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - eq-4''-Hydroxymaysin 10V, Positive-QTOF	splash10-004i-0000090000-ed76a1e0332f66700602	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - eq-4''-Hydroxymaysin 20V, Positive-QTOF	splash10-004i-0000090000-ed76a1e0332f66700602	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - eq-4''-Hydroxymaysin 40V, Positive-QTOF	splash10-002b-0400890000-d51cff5240bbf4bbfffa	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	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

FDB002058

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131750983

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Enzymes

Enzyme Details

1. Catechol O-methyltransferase

General function:: Involved in magnesium ion binding
Specific function:: Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
Gene Name:: COMT
Uniprot ID:: P21964
Molecular weight:: 30036.77

Reactions

eq-4''-Hydroxymaysin → ax-4''-Hydroxy-3-'-methoxymaysin	details

Showing metabocard for eq-4''-Hydroxymaysin (HMDB0030235)

MOL for HMDB0030235 (eq-4''-Hydroxymaysin)

3D MOL for HMDB0030235 (eq-4''-Hydroxymaysin)

3D SDF for HMDB0030235 (eq-4''-Hydroxymaysin)

3D-SDF for HMDB0030235 (eq-4''-Hydroxymaysin)

PDB for HMDB0030235 (eq-4''-Hydroxymaysin)

3D PDB for HMDB0030235 (eq-4''-Hydroxymaysin)

SMILES for HMDB0030235 (eq-4''-Hydroxymaysin)

INCHI for HMDB0030235 (eq-4''-Hydroxymaysin)

Structure for HMDB0030235 (eq-4''-Hydroxymaysin)

3D Structure for HMDB0030235 (eq-4''-Hydroxymaysin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions