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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-22 05:01:18 UTC

Update Date

2021-09-22 05:01:18 UTC

HMDB ID

HMDB0301676

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside

Description

Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside is a member of the class of compounds known as biflavonoids and polyflavonoids. Biflavonoids and polyflavonoids are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside can be found in chocolate and cocoa powder, which makes epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside a potential biomarker for the consumption of these food products.

Structure

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

Structure #1
  Mrv0541 02241212082D          

 51 58  0  0  0  0            999 V2000
   -4.8517    1.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5661    2.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5661    2.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8517    3.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1372    2.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1372    2.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4227    1.7285    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4227    3.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    2.9660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7083    2.1410    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9938    3.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793    2.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9938    4.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793    4.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649    4.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649    3.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2806    3.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8517    0.9035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496    4.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496    2.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1458   -0.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190    0.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6085    0.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3092    0.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2824   -0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550   -0.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5282   -1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9564   -1.6150    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2289   -2.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6571   -2.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6304   -2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3847   -1.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0854   -2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0587   -2.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3311   -3.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6352    1.5594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7594   -3.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044   -4.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    0.9044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9395    0.1818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7643    0.1653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1911    0.8713    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7930    1.5939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9682    1.6105    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2328    2.1267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2198    2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159    0.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1624   -0.5574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5127   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9108   -1.2469    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 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  6  0  0  0
  9 37  1  1  0  0  0
 10 46  1  6  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  1  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 36  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
 40 41  1  0  0  0  0
 40 45  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  6  0  0  0
 44 47  1  6  0  0  0
 43 48  1  1  0  0  0
 42 49  1  1  0  0  0
 41 50  1  1  0  0  0
 50 51  1  0  0  0  0
M  END

HMDB0301676
     RDKit          3D
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside
 85 92  0  0  0  0  0  0  0  0999 V2000
   -5.8846   -3.2293    2.5885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5185   -2.9490    2.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3867   -1.9635    1.2959 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0270   -1.6880    1.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7565   -0.7807    0.1690 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2455    0.4123    0.6228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0962    0.7726   -0.0062 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1960    0.4243    0.7781 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4799    1.4707    1.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3725    1.2179    2.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0326    0.0181    2.9461 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6766    2.1725    3.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0884    3.4188    3.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    4.3708    4.6958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2001    3.6491    2.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154    2.7083    1.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154    3.0023    0.7423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622    2.1777   -0.4578 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0622    2.5990   -1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3520    2.7361   -0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4206    3.1222   -1.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2712    3.4010   -2.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3676    3.7941   -3.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0048    3.2713   -3.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8492    3.5487   -4.8104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9268    2.8770   -2.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3005    2.4055   -1.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    1.3491   -1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0503    1.3365   -2.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168    0.2923   -2.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309   -0.7107   -1.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0768   -0.6844   -0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    0.3599   -0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760   -1.7376    0.4544 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2091   -2.6671    0.3781 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5473   -2.0686    0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6639   -2.8588    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9093   -2.3294    0.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0957   -1.0159    1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3323   -0.4632    1.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686   -0.2271    1.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0778    1.1150    1.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2750   -3.0912   -1.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -1.8674   -1.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8588   -0.6673   -0.8782 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9916   -0.0331   -0.4684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2414   -2.1429   -1.1601 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.3967    1.9649    4.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    5.0499    4.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082    4.6038    2.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9263    3.4705   -5.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0365    2.1213   -3.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6044    0.2276   -3.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0052   -3.5274    0.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -3.9087    0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8016   -2.9332    0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2124   -0.9049    1.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9911    1.5316    1.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8909   -0.0875    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9910   -3.9108   -1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3074   -3.3492   -1.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8534   -1.6404   -1.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7974   -2.0423   -2.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8503   -2.1387   -2.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0562   -2.1893   -0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5396   -4.3386   -0.6003 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  1  0
  9 10  2  0
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 12 13  2  0
 13 14  1  0
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 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  6
 19 20  2  0
 20 21  1  0
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 22 24  1  0
 24 25  1  0
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 18 27  1  0
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 39 41  1  0
 41 42  1  0
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  5 46  1  0
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 48 49  1  0
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 50 51  1  0
 50  3  1  0
 18  7  1  0
 26 19  1  0
 33 28  1  0
 43 36  1  0
 33  8  1  0
 16  9  1  0
 45 31  1  0
  1 52  1  0
  2 53  1  0
  2 54  1  0
  3 55  1  1
  5 56  1  6
  7 57  1  6
  8 58  1  1
 11 59  1  0
 12 60  1  0
 14 61  1  0
 15 62  1  0
 20 63  1  0
 21 64  1  0
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 35 70  1  1
 37 71  1  0
 38 72  1  0
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 42 74  1  0
 43 75  1  0
 44 76  1  0
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 45 78  1  0
 45 79  1  0
 46 80  1  6
 47 81  1  0
 48 82  1  6
 49 83  1  0
 50 84  1  6
 51 85  1  0
M  END

Structure #1
  Mrv0541 02241212082D          

 51 58  0  0  0  0            999 V2000
   -4.8517    1.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5661    2.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5661    2.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8517    3.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1372    2.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1190    0.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5550   -0.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5282   -1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9564   -1.6150    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2289   -2.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6571   -2.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6304   -2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0854   -2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0587   -2.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3311   -3.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6352    1.5594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5414    0.9044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9395    0.1818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7643    0.1653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1911    0.8713    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7930    1.5939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9682    1.6105    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2328    2.1267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0159    0.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1624   -0.5574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5127   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9108   -1.2469    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 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  6  0  0  0
  9 37  1  1  0  0  0
 10 46  1  6  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
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 31 33  1  0  0  0  0
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 35 36  2  0  0  0  0
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 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  6  0  0  0
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 43 48  1  1  0  0  0
 42 49  1  1  0  0  0
 41 50  1  1  0  0  0
 50 51  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0301676

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O[C@]2(OC2=C3C3=C(CC[C@H](O3)C3=CC(O)=C(O)C=C3)C=C2)C2=CC(O)=C(O)C=C2)C=C(O)C=C4O)[C@H](O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C36H34O15/c37-13-26-30(44)31(45)32(46)35(48-26)49-34-29-27-22(43)11-17(38)12-25(27)51-36(34,16-4-6-19(40)21(42)10-16)50-24-8-3-14-2-7-23(47-33(14)28(24)29)15-1-5-18(39)20(41)9-15/h1,3-6,8-12,23,26,29-32,34-35,37-46H,2,7,13H2/t23-,26+,29+,30-,31-,32+,34+,35+,36+/m0/s1

> <INCHI_KEY>
MVLCXMXCRQYNIC-TWULTLMFSA-N

> <FORMULA>
C36H34O15

> <MOLECULAR_WEIGHT>
706.6462

> <EXACT_MASS>
706.189770418

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
68.60907961627161

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5R,6R)-2-{[(1R,5S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-17,19-dihydroxy-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaen-21-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
2.41

> <JCHEM_LOGP>
3.198165379666666

> <ALOGPS_LOGS>
-3.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.189618496524249

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.714595558657553

> <JCHEM_PKA_STRONGEST_BASIC>
-3.678622313234082

> <JCHEM_POLAR_SURFACE_AREA>
248.44999999999993

> <JCHEM_REFRACTIVITY>
173.26720000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.63e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5R,6R)-2-{[(1R,5S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-17,19-dihydroxy-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaen-21-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0301676
     RDKit          3D
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside
 85 92  0  0  0  0  0  0  0  0999 V2000
   -5.8846   -3.2293    2.5885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5185   -2.9490    2.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3867   -1.9635    1.2959 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0270   -1.6880    1.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7565   -0.7807    0.1690 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2455    0.4123    0.6228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0962    0.7726   -0.0062 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1960    0.4243    0.7781 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4799    1.4707    1.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3725    1.2179    2.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0326    0.0181    2.9461 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6766    2.1725    3.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0884    3.4188    3.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    4.3708    4.6958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2001    3.6491    2.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154    2.7083    1.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154    3.0023    0.7423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622    2.1777   -0.4578 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0622    2.5990   -1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3520    2.7361   -0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4206    3.1222   -1.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2712    3.4010   -2.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3676    3.7941   -3.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0048    3.2713   -3.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8492    3.5487   -4.8104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9268    2.8770   -2.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3005    2.4055   -1.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    1.3491   -1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0503    1.3365   -2.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168    0.2923   -2.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309   -0.7107   -1.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0768   -0.6844   -0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    0.3599   -0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760   -1.7376    0.4544 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2091   -2.6671    0.3781 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5473   -2.0686    0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6639   -2.8588    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9093   -2.3294    0.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0957   -1.0159    1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3323   -0.4632    1.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686   -0.2271    1.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0778    1.1150    1.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7063   -0.7620    0.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -3.0912   -1.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -1.8674   -1.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8588   -0.6673   -0.8782 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9916   -0.0331   -0.4684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2414   -2.1429   -1.1601 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0604   -2.8907   -1.3327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0053   -2.5829    0.0766 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9556   -3.9679    0.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0519   -3.9091    2.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6882   -0.1904    3.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3967    1.9649    4.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    5.0499    4.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082    4.6038    2.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4584    2.5120    0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3918    3.2097   -1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2965    4.0118   -4.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9263    3.4705   -5.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    2.7911   -3.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0365    2.1213   -3.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6044    0.2276   -3.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0052   -3.5274    0.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -3.9087    0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8016   -2.9332    0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2124   -0.9049    1.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9911    1.5316    1.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8909   -0.0875    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9910   -3.9108   -1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3074   -3.3492   -1.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8534   -1.6404   -1.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7974   -2.0423   -2.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4309   -0.3030   -1.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7480   -0.0662   -1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8503   -2.1387   -2.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6343   -2.6567   -2.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0562   -2.1893   -0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5396   -4.3386   -0.6003 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  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  6
 19 20  2  0
 20 21  1  0
 21 22  2  0
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 18 27  1  0
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 31 32  1  0
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 34 35  1  0
 35 36  1  0
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 39 40  1  0
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 41 43  2  0
 35 44  1  0
 44 45  1  0
  5 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 48 50  1  0
 50 51  1  0
 50  3  1  0
 18  7  1  0
 26 19  1  0
 33 28  1  0
 43 36  1  0
 33  8  1  0
 16  9  1  0
 45 31  1  0
  1 52  1  0
  2 53  1  0
  2 54  1  0
  3 55  1  1
  5 56  1  6
  7 57  1  6
  8 58  1  1
 11 59  1  0
 12 60  1  0
 14 61  1  0
 15 62  1  0
 20 63  1  0
 21 64  1  0
 23 65  1  0
 25 66  1  0
 26 67  1  0
 29 68  1  0
 30 69  1  0
 35 70  1  1
 37 71  1  0
 38 72  1  0
 40 73  1  0
 42 74  1  0
 43 75  1  0
 44 76  1  0
 44 77  1  0
 45 78  1  0
 45 79  1  0
 46 80  1  6
 47 81  1  0
 48 82  1  6
 49 83  1  0
 50 84  1  6
 51 85  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Structure #1                                      
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -9.057   3.227   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -10.390   3.997   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -10.390   5.537   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -9.057   6.307   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.723   5.537   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.723   3.997   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.389   3.227   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -6.389   6.307   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -5.055   5.537   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.055   3.997   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.722   6.307   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.388   5.537   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.722   7.847   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.388   8.617   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.054   7.847   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.054   6.307   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -11.724   6.307   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -9.057   1.687   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       0.279   8.617   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       0.279   5.537   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.272  -0.576   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.222   0.963   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.136   1.689   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.444   0.877   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.394  -0.663   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.036  -1.389   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.986  -2.928   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -3.702  -1.476   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -3.652  -3.015   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.294  -3.741   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.960  -3.828   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -4.910  -5.367   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -6.318  -3.101   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -7.626  -3.914   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -7.576  -5.453   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -6.218  -6.179   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -1.186   2.911   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -8.884  -6.266   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -6.168  -7.719   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       1.011   1.688   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       1.754   0.339   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.293   0.309   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       4.090   1.626   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       3.347   2.975   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       1.807   3.006   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      -0.435   3.970   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0       4.144   4.293   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0       5.630   1.595   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0       4.036  -1.040   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       0.957  -0.979   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       1.700  -2.328   0.000  0.00  0.00           O+0
CONECT    1    2    6   18                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   17                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    1    5    7                                                  
CONECT    7    6   10   24                                                  
CONECT    8    5    9                                                       
CONECT    9    8   10   11   37                                             
CONECT   10    7    9   46                                                  
CONECT   11    9   12   13                                                  
CONECT   12   11   16                                                       
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   12   15   20                                                  
CONECT   17    3                                                            
CONECT   18    1                                                            
CONECT   19   15                                                            
CONECT   20   16                                                            
CONECT   21   22   26                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   37                                                  
CONECT   24    7   23   25                                                  
CONECT   25   24   26   28                                                  
CONECT   26   21   25   27                                                  
CONECT   27   26   30                                                       
CONECT   28   25   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   27   29                                                       
CONECT   31   29   32   33                                                  
CONECT   32   31   36                                                       
CONECT   33   31   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   38                                                  
CONECT   36   32   35   39                                                  
CONECT   37    9   23                                                       
CONECT   38   35                                                            
CONECT   39   36                                                            
CONECT   40   41   45                                                       
CONECT   41   40   42   50                                                  
CONECT   42   41   43   49                                                  
CONECT   43   42   44   48                                                  
CONECT   44   43   45   47                                                  
CONECT   45   40   44   46                                                  
CONECT   46   10   45                                                       
CONECT   47   44                                                            
CONECT   48   43                                                            
CONECT   49   42                                                            
CONECT   50   41   51                                                       
CONECT   51   50                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  116    0
END

COMPND    HMDB0301676
HETATM    1  O1  UNL     1      -5.885  -3.229   2.589  1.00  0.00           O  
HETATM    2  C1  UNL     1      -4.518  -2.949   2.433  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.387  -1.964   1.296  1.00  0.00           C  
HETATM    4  O2  UNL     1      -3.027  -1.688   1.136  1.00  0.00           O  
HETATM    5  C3  UNL     1      -2.757  -0.781   0.169  1.00  0.00           C  
HETATM    6  O3  UNL     1      -2.246   0.412   0.623  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.096   0.773  -0.006  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.196   0.424   0.778  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.480   1.471   1.768  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.373   1.218   2.788  1.00  0.00           C  
HETATM   11  O4  UNL     1       2.033   0.018   2.946  1.00  0.00           O  
HETATM   12  C8  UNL     1       1.677   2.172   3.760  1.00  0.00           C  
HETATM   13  C9  UNL     1       1.088   3.419   3.741  1.00  0.00           C  
HETATM   14  O5  UNL     1       1.379   4.371   4.696  1.00  0.00           O  
HETATM   15  C10 UNL     1       0.200   3.649   2.719  1.00  0.00           C  
HETATM   16  C11 UNL     1      -0.115   2.708   1.740  1.00  0.00           C  
HETATM   17  O6  UNL     1      -1.015   3.002   0.742  1.00  0.00           O  
HETATM   18  C12 UNL     1      -0.962   2.178  -0.458  1.00  0.00           C  
HETATM   19  C13 UNL     1      -2.062   2.599  -1.349  1.00  0.00           C  
HETATM   20  C14 UNL     1      -3.352   2.736  -0.834  1.00  0.00           C  
HETATM   21  C15 UNL     1      -4.421   3.122  -1.593  1.00  0.00           C  
HETATM   22  C16 UNL     1      -4.271   3.401  -2.942  1.00  0.00           C  
HETATM   23  O7  UNL     1      -5.368   3.794  -3.714  1.00  0.00           O  
HETATM   24  C17 UNL     1      -3.005   3.271  -3.466  1.00  0.00           C  
HETATM   25  O8  UNL     1      -2.849   3.549  -4.810  1.00  0.00           O  
HETATM   26  C18 UNL     1      -1.927   2.877  -2.680  1.00  0.00           C  
HETATM   27  O9  UNL     1       0.301   2.406  -1.053  1.00  0.00           O  
HETATM   28  C19 UNL     1       1.215   1.349  -1.246  1.00  0.00           C  
HETATM   29  C20 UNL     1       2.050   1.336  -2.348  1.00  0.00           C  
HETATM   30  C21 UNL     1       2.917   0.292  -2.506  1.00  0.00           C  
HETATM   31  C22 UNL     1       2.931  -0.711  -1.565  1.00  0.00           C  
HETATM   32  C23 UNL     1       2.077  -0.684  -0.442  1.00  0.00           C  
HETATM   33  C24 UNL     1       1.206   0.360  -0.286  1.00  0.00           C  
HETATM   34  O10 UNL     1       2.176  -1.738   0.454  1.00  0.00           O  
HETATM   35  C25 UNL     1       3.209  -2.667   0.378  1.00  0.00           C  
HETATM   36  C26 UNL     1       4.547  -2.069   0.619  1.00  0.00           C  
HETATM   37  C27 UNL     1       5.664  -2.859   0.453  1.00  0.00           C  
HETATM   38  C28 UNL     1       6.909  -2.329   0.660  1.00  0.00           C  
HETATM   39  C29 UNL     1       7.096  -1.016   1.031  1.00  0.00           C  
HETATM   40  O11 UNL     1       8.332  -0.463   1.248  1.00  0.00           O  
HETATM   41  C30 UNL     1       5.969  -0.227   1.194  1.00  0.00           C  
HETATM   42  O12 UNL     1       6.078   1.115   1.563  1.00  0.00           O  
HETATM   43  C31 UNL     1       4.706  -0.762   0.985  1.00  0.00           C  
HETATM   44  C32 UNL     1       3.275  -3.091  -1.116  1.00  0.00           C  
HETATM   45  C33 UNL     1       3.842  -1.867  -1.824  1.00  0.00           C  
HETATM   46  C34 UNL     1      -3.859  -0.667  -0.878  1.00  0.00           C  
HETATM   47  O13 UNL     1      -4.992  -0.033  -0.468  1.00  0.00           O  
HETATM   48  C35 UNL     1      -4.241  -2.143  -1.160  1.00  0.00           C  
HETATM   49  O14 UNL     1      -3.060  -2.891  -1.333  1.00  0.00           O  
HETATM   50  C36 UNL     1      -5.005  -2.583   0.077  1.00  0.00           C  
HETATM   51  O15 UNL     1      -4.956  -3.968   0.102  1.00  0.00           O  
HETATM   52  H1  UNL     1      -6.407  -2.785   1.874  1.00  0.00           H  
HETATM   53  H2  UNL     1      -4.052  -3.909   2.100  1.00  0.00           H  
HETATM   54  H3  UNL     1      -4.074  -2.561   3.378  1.00  0.00           H  
HETATM   55  H4  UNL     1      -4.942  -1.038   1.626  1.00  0.00           H  
HETATM   56  H5  UNL     1      -1.905  -1.210  -0.480  1.00  0.00           H  
HETATM   57  H6  UNL     1      -0.958   0.095  -0.915  1.00  0.00           H  
HETATM   58  H7  UNL     1       0.059  -0.544   1.318  1.00  0.00           H  
HETATM   59  H8  UNL     1       2.688  -0.190   3.677  1.00  0.00           H  
HETATM   60  H9  UNL     1       2.397   1.965   4.568  1.00  0.00           H  
HETATM   61  H10 UNL     1       2.144   5.050   4.555  1.00  0.00           H  
HETATM   62  H11 UNL     1      -0.308   4.604   2.623  1.00  0.00           H  
HETATM   63  H12 UNL     1      -3.458   2.512   0.246  1.00  0.00           H  
HETATM   64  H13 UNL     1      -5.392   3.210  -1.160  1.00  0.00           H  
HETATM   65  H14 UNL     1      -5.297   4.012  -4.692  1.00  0.00           H  
HETATM   66  H15 UNL     1      -1.926   3.471  -5.213  1.00  0.00           H  
HETATM   67  H16 UNL     1      -0.941   2.791  -3.141  1.00  0.00           H  
HETATM   68  H17 UNL     1       2.036   2.121  -3.086  1.00  0.00           H  
HETATM   69  H18 UNL     1       3.604   0.228  -3.361  1.00  0.00           H  
HETATM   70  H19 UNL     1       3.005  -3.527   0.993  1.00  0.00           H  
HETATM   71  H20 UNL     1       5.592  -3.909   0.159  1.00  0.00           H  
HETATM   72  H21 UNL     1       7.802  -2.933   0.533  1.00  0.00           H  
HETATM   73  H22 UNL     1       9.212  -0.905   1.167  1.00  0.00           H  
HETATM   74  H23 UNL     1       6.991   1.532   1.724  1.00  0.00           H  
HETATM   75  H24 UNL     1       3.891  -0.087   1.114  1.00  0.00           H  
HETATM   76  H25 UNL     1       3.991  -3.911  -1.266  1.00  0.00           H  
HETATM   77  H26 UNL     1       2.307  -3.349  -1.517  1.00  0.00           H  
HETATM   78  H27 UNL     1       4.853  -1.640  -1.513  1.00  0.00           H  
HETATM   79  H28 UNL     1       3.797  -2.042  -2.941  1.00  0.00           H  
HETATM   80  H29 UNL     1      -3.431  -0.303  -1.857  1.00  0.00           H  
HETATM   81  H30 UNL     1      -5.748  -0.066  -1.138  1.00  0.00           H  
HETATM   82  H31 UNL     1      -4.850  -2.139  -2.076  1.00  0.00           H  
HETATM   83  H32 UNL     1      -2.634  -2.657  -2.212  1.00  0.00           H  
HETATM   84  H33 UNL     1      -6.056  -2.189  -0.062  1.00  0.00           H  
HETATM   85  H34 UNL     1      -5.540  -4.339  -0.600  1.00  0.00           H  
CONECT    1    2   52
CONECT    2    3   53   54
CONECT    3    4   50   55
CONECT    4    5
CONECT    5    6   46   56
CONECT    6    7
CONECT    7    8   18   57
CONECT    8    9   33   58
CONECT    9   10   10   16
CONECT   10   11   12
CONECT   11   59
CONECT   12   13   13   60
CONECT   13   14   15
CONECT   14   61
CONECT   15   16   16   62
CONECT   16   17
CONECT   17   18
CONECT   18   19   27
CONECT   19   20   20   26
CONECT   20   21   63
CONECT   21   22   22   64
CONECT   22   23   24
CONECT   23   65
CONECT   24   25   26   26
CONECT   25   66
CONECT   26   67
CONECT   27   28
CONECT   28   29   29   33
CONECT   29   30   68
CONECT   30   31   31   69
CONECT   31   32   45
CONECT   32   33   33   34
CONECT   34   35
CONECT   35   36   44   70
CONECT   36   37   37   43
CONECT   37   38   71
CONECT   38   39   39   72
CONECT   39   40   41
CONECT   40   73
CONECT   41   42   43   43
CONECT   42   74
CONECT   43   75
CONECT   44   45   76   77
CONECT   45   78   79
CONECT   46   47   48   80
CONECT   47   81
CONECT   48   49   50   82
CONECT   49   83
CONECT   50   51   84
CONECT   51   85
END

HMDB0301676
     RDKit          3D
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside
 85 92  0  0  0  0  0  0  0  0999 V2000
   -5.8846   -3.2293    2.5885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5185   -2.9490    2.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3867   -1.9635    1.2959 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0270   -1.6880    1.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7565   -0.7807    0.1690 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2455    0.4123    0.6228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0962    0.7726   -0.0062 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1960    0.4243    0.7781 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4799    1.4707    1.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3725    1.2179    2.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0326    0.0181    2.9461 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6766    2.1725    3.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0884    3.4188    3.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    4.3708    4.6958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2001    3.6491    2.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154    2.7083    1.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154    3.0023    0.7423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622    2.1777   -0.4578 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0622    2.5990   -1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3520    2.7361   -0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4206    3.1222   -1.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2712    3.4010   -2.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3676    3.7941   -3.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0048    3.2713   -3.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8492    3.5487   -4.8104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9268    2.8770   -2.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3005    2.4055   -1.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    1.3491   -1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0503    1.3365   -2.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168    0.2923   -2.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309   -0.7107   -1.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0768   -0.6844   -0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    0.3599   -0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760   -1.7376    0.4544 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2091   -2.6671    0.3781 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5473   -2.0686    0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6639   -2.8588    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9093   -2.3294    0.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0957   -1.0159    1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3323   -0.4632    1.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686   -0.2271    1.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0778    1.1150    1.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7063   -0.7620    0.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -3.0912   -1.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -1.8674   -1.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8588   -0.6673   -0.8782 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9916   -0.0331   -0.4684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2414   -2.1429   -1.1601 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0604   -2.8907   -1.3327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0053   -2.5829    0.0766 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9556   -3.9679    0.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4065   -2.7854    1.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0519   -3.9091    2.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0741   -2.5610    3.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9422   -1.0377    1.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9054   -1.2096   -0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9576    0.0948   -0.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587   -0.5437    1.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6882   -0.1904    3.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3967    1.9649    4.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    5.0499    4.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082    4.6038    2.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4584    2.5120    0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3918    3.2097   -1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2965    4.0118   -4.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9263    3.4705   -5.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    2.7911   -3.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0365    2.1213   -3.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6044    0.2276   -3.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0052   -3.5274    0.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -3.9087    0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8016   -2.9332    0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2124   -0.9049    1.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9911    1.5316    1.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8909   -0.0875    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9910   -3.9108   -1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3074   -3.3492   -1.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8534   -1.6404   -1.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7974   -2.0423   -2.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4309   -0.3030   -1.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7480   -0.0662   -1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8503   -2.1387   -2.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6343   -2.6567   -2.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0562   -2.1893   -0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5396   -4.3386   -0.6003 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
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  1 52  1  0
  2 53  1  0
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  3 55  1  1
  5 56  1  6
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  8 58  1  1
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 51 85  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Epicatechin-(2a->7,4a->8)-epicatechin 3-galactoside	Generator
Epicatechin-(2α->7,4α->8)-epicatechin 3-galactoside	Generator

Chemical Formula

C₃₆H₃₄O₁₅

Average Molecular Weight

706.6462

Monoisotopic Molecular Weight

706.189770418

IUPAC Name

(2R,3R,4S,5R,6R)-2-{[(1R,5S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-17,19-dihydroxy-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaen-21-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

CAS Registry Number

490-46-0

SMILES

OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O[C@]2(OC2=C3C3=C(CC[C@H](O3)C3=CC(O)=C(O)C=C3)C=C2)C2=CC(O)=C(O)C=C2)C=C(O)C=C4O)[C@H](O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C36H34O15/c37-13-26-30(44)31(45)32(46)35(48-26)49-34-29-27-22(43)11-17(38)12-25(27)51-36(34,16-4-6-19(40)21(42)10-16)50-24-8-3-14-2-7-23(47-33(14)28(24)29)15-1-5-18(39)20(41)9-15/h1,3-6,8-12,23,26,29-32,34-35,37-46H,2,7,13H2/t23-,26+,29+,30-,31-,32+,34+,35+,36+/m0/s1

InChI Key

MVLCXMXCRQYNIC-TWULTLMFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Biflavonoids and polyflavonoids

Direct Parent

Biflavonoids and polyflavonoids

Alternative Parents

Substituents

Bi- and polyflavonoid skeleton
Catechin
Pyranoflavonoid
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavan-3-ol
Hydroxyflavonoid
Flavan
Pyranochromene
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Chromane
Benzopyran
1-benzopyran
Catechol
Phenol
Ketal
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Monosaccharide
Oxane
Benzenoid
Monocyclic benzene moiety
Secondary alcohol
Polyol
Organoheterocyclic compound
Ether
Oxacycle
Acetal
Primary alcohol
Alcohol
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Exogenous (HMDB: HMDB0301676)

Food

Cocoa and cocoa product

Cocoa product

Chocolate (FooDB: FOOD00687)
Cocoa powder (FooDB: FOOD00685)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	2.41	ALOGPS
logP	3.2	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	8.71	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	248.45 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	173.27 m³·mol⁻¹	ChemAxon
Polarizability	68.61 Å³	ChemAxon
Number of Rings	8	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
AllCCS	[M+H]+	254.867	32859911
AllCCS	[M+H-H2O]+	254.094	32859911
AllCCS	[M+Na]+	255.731	32859911
AllCCS	[M+NH4]+	255.544	32859911
AllCCS	[M-H]-	252.781	32859911
AllCCS	[M+Na-2H]-	255.995	32859911
AllCCS	[M+HCOO]-	259.645	32859911
DeepCCS	[M+H]+	253.75	30932474
DeepCCS	[M-H]-	251.855	30932474
DeepCCS	[M-2H]-	285.62	30932474
DeepCCS	[M+Na]+	259.728	30932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	6250.2	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	5694.6	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	8623.6	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	6262.3	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	5627.1	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	8456.5	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6271.7	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5644.0	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8608.8	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	6304.9	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	5661.9	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	8503.1	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6265.3	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5653.3	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8630.8	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	6263.9	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	5669.3	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	8583.5	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	6295.2	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	5613.5	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	8563.7	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	6327.0	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	5572.5	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	8577.1	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H]2C3=C(O)C=C(O)C=C3O[C@@]1(C1=CC=C(O)C(O)=C1)OC1=CC=C3CC[C@@H](C4=CC=C(O)C(O)=C4)OC3=C12	6285.3	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H]2C3=C(O)C=C(O)C=C3O[C@@]1(C1=CC=C(O)C(O)=C1)OC1=CC=C3CC[C@@H](C4=CC=C(O)C(O)=C4)OC3=C12	5627.2	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H]2C3=C(O)C=C(O)C=C3O[C@@]1(C1=CC=C(O)C(O)=C1)OC1=CC=C3CC[C@@H](C4=CC=C(O)C(O)=C4)OC3=C12	8503.3	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	6269.5	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	5627.8	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	8444.6	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O[Si](C)(C)C)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	6120.6	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O[Si](C)(C)C)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	5575.8	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O[Si](C)(C)C)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	8186.7	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=C(C(O[Si](C)(C)C)=CC(O)=C6)[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6107.4	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=C(C(O[Si](C)(C)C)=CC(O)=C6)[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5552.5	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=C(C(O[Si](C)(C)C)=CC(O)=C6)[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8157.8	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	6048.1	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	5591.0	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	8148.5	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	5986.3	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	5658.8	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	8175.3	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O[Si](C)(C)C)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5998.7	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O[Si](C)(C)C)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5634.6	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O[Si](C)(C)C)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8193.3	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	6015.7	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	5605.8	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	8084.0	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	6015.4	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	5603.6	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	8074.9	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	6042.7	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	5602.2	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	8122.4	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	6101.0	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	5589.3	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	7984.8	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=C(C(O[Si](C)(C)C)=CC(O)=C6)[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	6136.3	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=C(C(O[Si](C)(C)C)=CC(O)=C6)[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	5561.8	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=C(C(O[Si](C)(C)C)=CC(O)=C6)[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	8086.7	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	6072.2	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	5602.8	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	8078.6	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O[Si](C)(C)C)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	6076.0	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O[Si](C)(C)C)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	5606.3	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O[Si](C)(C)C)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	8148.7	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O[Si](C)(C)C)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	6025.8	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O[Si](C)(C)C)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	5657.4	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O[Si](C)(C)C)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	8098.5	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O[Si](C)(C)C)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	6028.2	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O[Si](C)(C)C)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	5645.4	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O[Si](C)(C)C)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	8121.4	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	6046.6	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	5615.2	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	8016.0	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	6048.1	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	5612.7	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	8010.1	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	6073.6	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	5612.0	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	8053.3	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	6051.9	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	5584.6	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	8154.3	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O[Si](C)(C)C)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6107.6	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O[Si](C)(C)C)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5559.8	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O[Si](C)(C)C)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8174.5	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #27	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	6018.6	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #27	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	5611.8	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #27	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	8100.7	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #28	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	6017.7	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #28	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	5609.4	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #28	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	8091.8	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #29	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	6043.0	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #29	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	5607.9	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #29	C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	8139.2	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	6014.1	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	5672.7	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	8174.2	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #30	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	6063.1	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #30	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	5594.2	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #30	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	8054.7	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	6044.2	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	5596.1	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	8127.8	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #32	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O[Si](C)(C)C)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	6097.3	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #32	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O[Si](C)(C)C)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	5569.1	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #32	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O[Si](C)(C)C)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	8146.9	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #33	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	6010.4	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #33	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	5620.7	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #33	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	8075.0	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #34	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	6011.0	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #34	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	5618.6	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #34	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	8067.1	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #35	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	6035.1	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #35	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	5617.5	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #35	C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	8113.0	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #36	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	6116.8	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #36	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	5512.3	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #36	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	8073.9	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	6067.4	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5553.3	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	8043.7	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	6069.4	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5552.5	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	8035.2	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	6093.6	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5552.1	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	8081.6	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	6025.3	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	5660.2	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	8202.3	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	6113.6	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5535.1	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	8051.6	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	6119.7	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5533.5	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	8042.2	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	6139.4	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5531.5	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	8090.6	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O[Si](C)(C)C	6086.0	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O[Si](C)(C)C	5558.5	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O[Si](C)(C)C	8017.1	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #44	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)O[C@@H]1CO	6053.6	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #44	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)O[C@@H]1CO	5565.0	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #44	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)O[C@@H]1CO	7968.5	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #45	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O[Si](C)(C)C	6060.8	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #45	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O[Si](C)(C)C	5560.8	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #45	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O[Si](C)(C)C	7978.1	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	6042.2	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	5680.3	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	8123.9	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	6013.6	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	5666.4	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	8196.2	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	6074.5	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	5627.0	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	8131.3	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	6053.3	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	5627.0	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	8076.9	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	6062.9	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	5615.1	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,2TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	8091.6	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	6462.6	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	5880.1	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@@H](O)[C@H]1O	8530.0	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	6454.9	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	5849.6	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	8381.8	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6472.5	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5840.6	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8505.2	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	6506.1	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	5864.2	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2CCC3=CC=C4O[C@]5(C6=CC=C(O)C(O)=C6)OC6=CC(O)=CC(O)=C6[C@H](C4=C3O2)[C@H]5O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	8433.3	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6465.3	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5850.7	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8522.6	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	6459.6	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	5868.5	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=CC5=C4O[C@H](C4=CC=C(O)C(O)=C4)CC5)O2)[C@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	8492.6	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	6491.1	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	5796.4	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	8476.1	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	6520.0	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	5776.1	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=CC4=C3O[C@H](C3=CC=C(O)C(O)=C3)CC4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	8484.1	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H]2C3=C(O)C=C(O)C=C3O[C@@]1(C1=CC=C(O)C(O)=C1)OC1=CC=C3CC[C@@H](C4=CC=C(O)C(O)=C4)OC3=C12	6484.4	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H]2C3=C(O)C=C(O)C=C3O[C@@]1(C1=CC=C(O)C(O)=C1)OC1=CC=C3CC[C@@H](C4=CC=C(O)C(O)=C4)OC3=C12	5845.1	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H]2C3=C(O)C=C(O)C=C3O[C@@]1(C1=CC=C(O)C(O)=C1)OC1=CC=C3CC[C@@H](C4=CC=C(O)C(O)=C4)OC3=C12	8423.6	Standard polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	6461.8	Semi standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	5848.5	Standard non polar	33892256
Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H]3C4=C(O)C=C(O)C=C4O[C@@]2(C2=CC=C(O)C(O)=C2)OC2=CC=C4CC[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	8371.6	Standard polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside 10V, Positive-QTOF	splash10-052k-0300092300-b65c76758ee7673303e5	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside 20V, Positive-QTOF	splash10-05mk-0400591000-47c65f5b8211c61ad5a7	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside 40V, Positive-QTOF	splash10-0a4i-1901521000-79a35b0c5198f2a7f6a0	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside 10V, Negative-QTOF	splash10-0a4l-2420083900-20389803443873a4229b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside 20V, Negative-QTOF	splash10-002f-1410191000-9a7916d635d39f958b34	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside 40V, Negative-QTOF	splash10-0553-6790150000-8f47f8770dc1d570f868	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside 10V, Positive-QTOF	splash10-0a4j-0000181900-8698603040661b8e7b1b	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside 20V, Positive-QTOF	splash10-052b-0000029200-6257e691d83f4c26608d	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside 40V, Positive-QTOF	splash10-000t-9300668100-773d944f9bdba199ecfb	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside 10V, Negative-QTOF	splash10-0a4i-0000001900-d11f0b5c05bb811c1d0b	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside 20V, Negative-QTOF	splash10-0a4i-2200039700-e99869259575731c256f	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside 40V, Negative-QTOF	splash10-0006-6310590000-72e55eb34069bfed27a3	2021-10-21	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

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

FDB000126

KNApSAcK ID

Not Available

Chemspider ID

59696155

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

157009728

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1136801

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside (HMDB0301676)

MOL for HMDB0301676 (Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside)

3D MOL for HMDB0301676 (Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside)

3D SDF for HMDB0301676 (Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside)

3D-SDF for HMDB0301676 (Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside)

PDB for HMDB0301676 (Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside)

3D PDB for HMDB0301676 (Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside)

SMILES for HMDB0301676 (Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside)

INCHI for HMDB0301676 (Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside)

Structure for HMDB0301676 (Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside)

3D Structure for HMDB0301676 (Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-galactoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra