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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-23 03:48:51 UTC

Update Date

2021-09-23 03:48:51 UTC

HMDB ID

HMDB0301938

Secondary Accession Numbers

None

Metabolite Identification

Common Name

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

Description

Ent-epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 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''. Ent-epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Ent-epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside can be found in cocoa bean, which makes ent-epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside a potential biomarker for the consumption of this food product.

Structure

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

Structure #1
  Mrv0541 10221206272D          

 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  2  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  2  0  0  0  0  0  0  0  0  0
   -2.7083    2.1410    0.0000 C   0  0  1  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
    0.1458   -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  2  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
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    2.2883    1.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150    2.2470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3170    2.9696    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4922    2.9862    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0654    2.2802    0.0000 C   0  0  2  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
    1.0941    3.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7438    3.6756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5400    2.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793    5.4411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022   -2.8287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8129   -1.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733   -0.6978    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 23  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
  9 36  1  6  0  0  0
 10 44  1  1  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
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 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  1  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 35  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 37  1  0  0  0  0
 38 39  1  0  0  0  0
 38 43  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  1  0  0  0
 42 45  1  6  0  0  0
 41 46  1  1  0  0  0
 40 47  1  1  0  0  0
 14 48  1  0  0  0  0
 29 49  1  1  0  0  0
 33 50  1  0  0  0  0
 20 51  1  0  0  0  0
M  END

HMDB0301938
     RDKit          3D
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside
 83 90  0  0  0  0  0  0  0  0999 V2000
   -1.4028    2.4839   -5.1673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0671    1.8765   -3.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5126    0.5979   -3.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1747   -0.0139   -2.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3790    0.6172   -1.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1172    2.4635   -0.3674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4965    1.6900    0.7833 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8263    2.1544    1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7763    2.6414    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0041    3.1334    0.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4004    2.6838    2.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7475    2.7161    4.3359 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4997    2.0769    1.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8872    2.4091    1.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0605    0.0691   -0.2839 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.5119   -1.6573    0.7981 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0847   -2.6811   -0.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6366   -0.8366    0.2347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8604   -1.9177    1.3667 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -6.4396   -0.9394   -0.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1364   -1.1039    2.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4688   -3.2494    2.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1023    0.0079    0.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  1
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 29 30  1  0
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 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
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  8  2  1  0
 28 10  1  0
 37 30  1  0
 48 41  1  0
 27  6  1  0
 18 11  1  0
 26 20  1  0
 51 24  1  0
  1 52  1  0
  3 53  1  0
  5 54  1  0
  8 55  1  0
 12 56  1  0
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 15 58  1  0
 17 59  1  0
 18 60  1  0
 21 61  1  0
 23 62  1  0
 27 63  1  6
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 32 67  1  0
 33 68  1  6
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 35 70  1  1
 36 71  1  0
 37 72  1  1
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 43 76  1  0
 45 77  1  0
 47 78  1  0
 48 79  1  0
 49 80  1  6
 50 81  1  0
 51 82  1  0
 51 83  1  0
M  END

Structure #1
  Mrv0541 10221206272D          

 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
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   -4.1372    2.1410    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
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   -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  2  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
    1.4635    1.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2883    1.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150    2.2470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3170    2.9696    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4922    2.9862    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0654    2.2802    0.0000 C   0  0  2  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
    1.0941    3.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5400    2.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793    5.4411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022   -2.8287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8129   -1.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733   -0.6978    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
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 36  1  6  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
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
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 38 39  1  0  0  0  0
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 43 44  1  1  0  0  0
 42 45  1  6  0  0  0
 41 46  1  1  0  0  0
 40 47  1  1  0  0  0
 14 48  1  0  0  0  0
 29 49  1  1  0  0  0
 33 50  1  0  0  0  0
 20 51  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0301938

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C35H32O16/c36-14-7-21(42)26-24(8-14)50-35(13-2-4-17(38)20(41)6-13)33(49-34-30(46)29(45)23(44)11-47-34)28(26)27-25(51-35)10-18(39)15-9-22(43)31(48-32(15)27)12-1-3-16(37)19(40)5-12/h1-8,10,22-23,28-31,33-34,36-46H,9,11H2/t22-,23+,28+,29+,30-,31-,33+,34+,35-/m1/s1

> <INCHI_KEY>
SFVJFSIQKBXNPZ-MIWZTYSMSA-N

> <FORMULA>
C35H32O16

> <MOLECULAR_WEIGHT>
708.619

> <EXACT_MASS>
708.169034976

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
68.6193117282846

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
1.97

> <JCHEM_LOGP>
2.4500313929999997

> <ALOGPS_LOGS>
-3.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.104095243182647

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.662653008255559

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9471072047669624

> <JCHEM_POLAR_SURFACE_AREA>
268.67999999999995

> <JCHEM_REFRACTIVITY>
170.64710000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.98e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0301938
     RDKit          3D
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside
 83 90  0  0  0  0  0  0  0  0999 V2000
   -1.4028    2.4839   -5.1673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0671    1.8765   -3.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5126    0.5979   -3.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1747   -0.0139   -2.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3732   -1.2873   -2.8155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790    0.6172   -1.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347    1.8880   -1.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2846    2.5347   -2.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172    2.4635   -0.3674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4965    1.6900    0.7833 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8263    2.1544    1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7763    2.6414    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0041    3.1334    0.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3500    3.1713    2.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5876    3.6769    2.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4004    2.6838    2.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4997    2.0769    1.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3695    0.5465   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0367    0.8128    0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0605    0.0691   -0.2839 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3164    0.2465    0.6272 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -2.5119   -1.6573    0.7981 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0847   -2.6811   -0.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348   -3.1857   -0.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3432   -2.4774   -0.9609 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3518   -1.3850   -1.8353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9447   -2.0604    0.3333 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6366   -0.8366    0.2347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8604   -1.9177    1.3667 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7435   -3.1546    2.0666 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6230   -0.4054   -0.9904 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9374   -0.7204   -1.4718 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6293   -1.6143   -0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9803   -2.2084    0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893   -3.0286    1.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0482   -3.2471    1.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7355   -4.0641    2.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7219   -2.6581    0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0736   -2.8692   -0.0304 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9774   -1.8417   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6548    0.6358   -1.4169 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8193    0.6819   -2.1222 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    0.9203    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4688   -3.2494    2.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2386   -3.5252    2.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5013    1.7374    0.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1023    0.0079    0.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
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 51 24  1  0
  1 52  1  0
  3 53  1  0
  5 54  1  0
  8 55  1  0
 12 56  1  0
 13 57  1  0
 15 58  1  0
 17 59  1  0
 18 60  1  0
 21 61  1  0
 23 62  1  0
 27 63  1  6
 28 64  1  1
 30 65  1  1
 32 66  1  0
 32 67  1  0
 33 68  1  6
 34 69  1  0
 35 70  1  1
 36 71  1  0
 37 72  1  1
 38 73  1  0
 40 74  1  6
 42 75  1  0
 43 76  1  0
 45 77  1  0
 47 78  1  0
 48 79  1  0
 49 80  1  6
 50 81  1  0
 51 82  1  0
 51 83  1  0
M  END

HEADER    PROTEIN                                 22-OCT-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Structure #1                                      
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-OCT-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  C   UNK     0       0.272  -0.576   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.222   0.963   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.136   1.689   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.444   0.877   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.394  -0.663   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.036  -1.389   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.986  -2.928   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -3.702  -1.476   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -3.652  -3.015   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.294  -3.741   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.960  -3.828   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.910  -5.367   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -6.318  -3.101   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -7.626  -3.914   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -7.576  -5.453   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -6.218  -6.179   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -1.186   2.911   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -8.884  -6.266   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       2.732   2.907   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       4.271   2.877   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.068   4.194   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.325   5.543   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       2.785   5.574   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       1.989   4.256   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -0.435   3.970   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       2.042   6.923   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0       5.122   6.861   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0       6.608   4.163   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0      -2.388  10.157   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0      -2.244  -5.280   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0      -8.984  -3.188   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0       1.630  -1.303   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   23                                                  
CONECT    8    5    9                                                       
CONECT    9    8   10   11   36                                             
CONECT   10    7    9   44                                                  
CONECT   11    9   12   13                                                  
CONECT   12   11   16                                                       
CONECT   13   11   14                                                       
CONECT   14   13   15   48                                                  
CONECT   15   14   16   19                                                  
CONECT   16   12   15                                                       
CONECT   17    3                                                            
CONECT   18    1                                                            
CONECT   19   15                                                            
CONECT   20   21   25   51                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   36                                                  
CONECT   23    7   22   24                                                  
CONECT   24   23   25   27                                                  
CONECT   25   20   24   26                                                  
CONECT   26   25   29                                                       
CONECT   27   24   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   26   28   49                                                  
CONECT   30   28   31   32                                                  
CONECT   31   30   35                                                       
CONECT   32   30   33                                                       
CONECT   33   32   34   50                                                  
CONECT   34   33   35   37                                                  
CONECT   35   31   34                                                       
CONECT   36    9   22                                                       
CONECT   37   34                                                            
CONECT   38   39   43                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   47                                                  
CONECT   41   40   42   46                                                  
CONECT   42   41   43   45                                                  
CONECT   43   38   42   44                                                  
CONECT   44   10   43                                                       
CONECT   45   42                                                            
CONECT   46   41                                                            
CONECT   47   40                                                            
CONECT   48   14                                                            
CONECT   49   29                                                            
CONECT   50   33                                                            
CONECT   51   20                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  116    0
END

COMPND    HMDB0301938
HETATM    1  O1  UNL     1      -1.403   2.484  -5.167  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.067   1.876  -3.953  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.513   0.598  -3.996  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.175  -0.014  -2.804  1.00  0.00           C  
HETATM    5  O2  UNL     1       0.373  -1.287  -2.815  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.379   0.617  -1.625  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.935   1.888  -1.610  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.285   2.535  -2.766  1.00  0.00           C  
HETATM    9  O3  UNL     1      -1.117   2.463  -0.367  1.00  0.00           O  
HETATM   10  C7  UNL     1      -1.496   1.690   0.783  1.00  0.00           C  
HETATM   11  C8  UNL     1      -2.826   2.154   1.234  1.00  0.00           C  
HETATM   12  C9  UNL     1      -3.776   2.641   0.324  1.00  0.00           C  
HETATM   13  C10 UNL     1      -5.004   3.133   0.749  1.00  0.00           C  
HETATM   14  C11 UNL     1      -5.350   3.171   2.079  1.00  0.00           C  
HETATM   15  O4  UNL     1      -6.588   3.677   2.495  1.00  0.00           O  
HETATM   16  C12 UNL     1      -4.400   2.684   2.981  1.00  0.00           C  
HETATM   17  O5  UNL     1      -4.748   2.716   4.336  1.00  0.00           O  
HETATM   18  C13 UNL     1      -3.189   2.197   2.562  1.00  0.00           C  
HETATM   19  O6  UNL     1      -0.500   2.077   1.781  1.00  0.00           O  
HETATM   20  C14 UNL     1       0.814   1.765   1.349  1.00  0.00           C  
HETATM   21  C15 UNL     1       1.887   2.409   1.901  1.00  0.00           C  
HETATM   22  C16 UNL     1       3.206   2.173   1.542  1.00  0.00           C  
HETATM   23  O7  UNL     1       4.241   2.855   2.142  1.00  0.00           O  
HETATM   24  C17 UNL     1       3.412   1.232   0.569  1.00  0.00           C  
HETATM   25  C18 UNL     1       2.370   0.546  -0.022  1.00  0.00           C  
HETATM   26  C19 UNL     1       1.037   0.813   0.369  1.00  0.00           C  
HETATM   27  C20 UNL     1      -0.061   0.069  -0.284  1.00  0.00           C  
HETATM   28  C21 UNL     1      -1.316   0.247   0.627  1.00  0.00           C  
HETATM   29  O8  UNL     1      -2.357  -0.487   0.080  1.00  0.00           O  
HETATM   30  C22 UNL     1      -2.512  -1.657   0.798  1.00  0.00           C  
HETATM   31  O9  UNL     1      -2.085  -2.681  -0.066  1.00  0.00           O  
HETATM   32  C23 UNL     1      -3.035  -3.186  -0.893  1.00  0.00           C  
HETATM   33  C24 UNL     1      -4.343  -2.477  -0.961  1.00  0.00           C  
HETATM   34  O10 UNL     1      -4.352  -1.385  -1.835  1.00  0.00           O  
HETATM   35  C25 UNL     1      -4.945  -2.060   0.333  1.00  0.00           C  
HETATM   36  O11 UNL     1      -5.637  -0.837   0.235  1.00  0.00           O  
HETATM   37  C26 UNL     1      -3.860  -1.918   1.367  1.00  0.00           C  
HETATM   38  O12 UNL     1      -3.744  -3.155   2.067  1.00  0.00           O  
HETATM   39  O13 UNL     1       2.623  -0.405  -0.990  1.00  0.00           O  
HETATM   40  C27 UNL     1       3.937  -0.720  -1.472  1.00  0.00           C  
HETATM   41  C28 UNL     1       4.629  -1.614  -0.494  1.00  0.00           C  
HETATM   42  C29 UNL     1       3.980  -2.208   0.559  1.00  0.00           C  
HETATM   43  C30 UNL     1       4.689  -3.029   1.427  1.00  0.00           C  
HETATM   44  C31 UNL     1       6.048  -3.247   1.229  1.00  0.00           C  
HETATM   45  O14 UNL     1       6.736  -4.064   2.105  1.00  0.00           O  
HETATM   46  C32 UNL     1       6.722  -2.658   0.174  1.00  0.00           C  
HETATM   47  O15 UNL     1       8.074  -2.869  -0.030  1.00  0.00           O  
HETATM   48  C33 UNL     1       5.977  -1.842  -0.677  1.00  0.00           C  
HETATM   49  C34 UNL     1       4.655   0.636  -1.417  1.00  0.00           C  
HETATM   50  O16 UNL     1       5.819   0.682  -2.122  1.00  0.00           O  
HETATM   51  C35 UNL     1       4.804   0.920   0.070  1.00  0.00           C  
HETATM   52  H1  UNL     1      -0.723   3.046  -5.651  1.00  0.00           H  
HETATM   53  H2  UNL     1      -0.359   0.119  -4.976  1.00  0.00           H  
HETATM   54  H3  UNL     1       0.512  -1.748  -3.702  1.00  0.00           H  
HETATM   55  H4  UNL     1      -1.720   3.529  -2.739  1.00  0.00           H  
HETATM   56  H5  UNL     1      -3.493   2.613  -0.721  1.00  0.00           H  
HETATM   57  H6  UNL     1      -5.728   3.506   0.035  1.00  0.00           H  
HETATM   58  H7  UNL     1      -6.822   3.716   3.471  1.00  0.00           H  
HETATM   59  H8  UNL     1      -4.071   2.372   4.990  1.00  0.00           H  
HETATM   60  H9  UNL     1      -2.442   1.820   3.276  1.00  0.00           H  
HETATM   61  H10 UNL     1       1.730   3.160   2.679  1.00  0.00           H  
HETATM   62  H11 UNL     1       5.190   2.689   1.879  1.00  0.00           H  
HETATM   63  H12 UNL     1       0.216  -0.984  -0.375  1.00  0.00           H  
HETATM   64  H13 UNL     1      -0.986  -0.240   1.558  1.00  0.00           H  
HETATM   65  H14 UNL     1      -1.772  -1.726   1.662  1.00  0.00           H  
HETATM   66  H15 UNL     1      -2.600  -3.115  -1.944  1.00  0.00           H  
HETATM   67  H16 UNL     1      -3.214  -4.266  -0.702  1.00  0.00           H  
HETATM   68  H17 UNL     1      -5.068  -3.222  -1.424  1.00  0.00           H  
HETATM   69  H18 UNL     1      -4.448  -1.666  -2.779  1.00  0.00           H  
HETATM   70  H19 UNL     1      -5.659  -2.851   0.719  1.00  0.00           H  
HETATM   71  H20 UNL     1      -6.440  -0.939  -0.339  1.00  0.00           H  
HETATM   72  H21 UNL     1      -4.136  -1.104   2.057  1.00  0.00           H  
HETATM   73  H22 UNL     1      -4.469  -3.249   2.723  1.00  0.00           H  
HETATM   74  H23 UNL     1       3.905  -1.127  -2.472  1.00  0.00           H  
HETATM   75  H24 UNL     1       2.949  -2.041   0.705  1.00  0.00           H  
HETATM   76  H25 UNL     1       4.239  -3.525   2.280  1.00  0.00           H  
HETATM   77  H26 UNL     1       6.298  -4.515   2.892  1.00  0.00           H  
HETATM   78  H27 UNL     1       8.509  -2.413  -0.819  1.00  0.00           H  
HETATM   79  H28 UNL     1       6.539  -1.408  -1.494  1.00  0.00           H  
HETATM   80  H29 UNL     1       3.922   1.385  -1.788  1.00  0.00           H  
HETATM   81  H30 UNL     1       6.500   1.293  -1.767  1.00  0.00           H  
HETATM   82  H31 UNL     1       5.501   1.737   0.250  1.00  0.00           H  
HETATM   83  H32 UNL     1       5.102   0.008   0.616  1.00  0.00           H  
CONECT    1    2   52
CONECT    2    3    3    8
CONECT    3    4   53
CONECT    4    5    6    6
CONECT    5   54
CONECT    6    7   27
CONECT    7    8    8    9
CONECT    8   55
CONECT    9   10
CONECT   10   11   19   28
CONECT   11   12   12   18
CONECT   12   13   56
CONECT   13   14   14   57
CONECT   14   15   16
CONECT   15   58
CONECT   16   17   18   18
CONECT   17   59
CONECT   18   60
CONECT   19   20
CONECT   20   21   21   26
CONECT   21   22   61
CONECT   22   23   24   24
CONECT   23   62
CONECT   24   25   51
CONECT   25   26   26   39
CONECT   26   27
CONECT   27   28   63
CONECT   28   29   64
CONECT   29   30
CONECT   30   31   37   65
CONECT   31   32
CONECT   32   33   66   67
CONECT   33   34   35   68
CONECT   34   69
CONECT   35   36   37   70
CONECT   36   71
CONECT   37   38   72
CONECT   38   73
CONECT   39   40
CONECT   40   41   49   74
CONECT   41   42   42   48
CONECT   42   43   75
CONECT   43   44   44   76
CONECT   44   45   46
CONECT   45   77
CONECT   46   47   48   48
CONECT   47   78
CONECT   48   79
CONECT   49   50   51   80
CONECT   50   81
CONECT   51   82   83
END

HMDB0301938
     RDKit          3D
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside
 83 90  0  0  0  0  0  0  0  0999 V2000
   -1.4028    2.4839   -5.1673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0671    1.8765   -3.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5126    0.5979   -3.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1747   -0.0139   -2.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3732   -1.2873   -2.8155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790    0.6172   -1.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347    1.8880   -1.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2846    2.5347   -2.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172    2.4635   -0.3674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4965    1.6900    0.7833 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8263    2.1544    1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7763    2.6414    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0041    3.1334    0.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3500    3.1713    2.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5876    3.6769    2.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4004    2.6838    2.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7475    2.7161    4.3359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    2.1968    2.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4997    2.0769    1.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8141    1.7651    1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8872    2.4091    1.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2058    2.1730    1.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2408    2.8552    2.1417 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    1.2316    0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3695    0.5465   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0367    0.8128    0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0605    0.0691   -0.2839 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3164    0.2465    0.6272 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3569   -0.4874    0.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5119   -1.6573    0.7981 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0847   -2.6811   -0.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348   -3.1857   -0.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3432   -2.4774   -0.9609 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3518   -1.3850   -1.8353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9447   -2.0604    0.3333 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6366   -0.8366    0.2347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8604   -1.9177    1.3667 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7435   -3.1546    2.0666 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6230   -0.4054   -0.9904 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9374   -0.7204   -1.4718 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6293   -1.6143   -0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9803   -2.2084    0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893   -3.0286    1.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0482   -3.2471    1.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7355   -4.0641    2.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7219   -2.6581    0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0736   -2.8692   -0.0304 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9774   -1.8417   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6548    0.6358   -1.4169 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8193    0.6819   -2.1222 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    0.9203    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232    3.0462   -5.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588    0.1189   -4.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5115   -1.7484   -3.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7201    3.5286   -2.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4929    2.6134   -0.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7281    3.5061    0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8219    3.7164    3.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    2.3720    4.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4422    1.8199    3.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7303    3.1596    2.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1903    2.6893    1.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2164   -0.9843   -0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9864   -0.2401    1.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724   -1.7258    1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6001   -3.1153   -1.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138   -4.2664   -0.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0684   -3.2216   -1.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4477   -1.6665   -2.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6590   -2.8507    0.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4396   -0.9394   -0.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1364   -1.1039    2.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4688   -3.2494    2.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9053   -1.1275   -2.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487   -2.0415    0.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2386   -3.5252    2.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2981   -4.5149    2.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5086   -2.4128   -0.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5390   -1.4082   -1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217    1.3854   -1.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5003    1.2934   -1.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5013    1.7374    0.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1023    0.0079    0.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
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 10 19  1  0
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 40 49  1  0
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  8  2  1  0
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 48 41  1  0
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 51 24  1  0
  1 52  1  0
  3 53  1  0
  5 54  1  0
  8 55  1  0
 12 56  1  0
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 15 58  1  0
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 18 60  1  0
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 27 63  1  6
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 49 80  1  6
 50 81  1  0
 51 82  1  0
 51 83  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

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

Chemical Formula

C₃₅H₃₂O₁₆

Average Molecular Weight

708.619

Monoisotopic Molecular Weight

708.169034976

IUPAC Name

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

Traditional Name

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C35H32O16/c36-14-7-21(42)26-24(8-14)50-35(13-2-4-17(38)20(41)6-13)33(49-34-30(46)29(45)23(44)11-47-34)28(26)27-25(51-35)10-18(39)15-9-22(43)31(48-32(15)27)12-1-3-16(37)19(40)5-12/h1-8,10,22-23,28-31,33-34,36-46H,9,11H2/t22-,23+,28+,29+,30-,31-,33+,34+,35-/m1/s1

InChI Key

SFVJFSIQKBXNPZ-MIWZTYSMSA-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

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Exogenous (HMDB: HMDB0301938)

Food

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

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	1.97	ALOGPS
logP	2.45	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	8.66	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	268.68 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	170.65 m³·mol⁻¹	ChemAxon
Polarizability	68.62 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]+	254.317	32859911
AllCCS	[M+H-H2O]+	253.517	32859911
AllCCS	[M+Na]+	255.214	32859911
AllCCS	[M+NH4]+	255.019	32859911
AllCCS	[M-H]-	254.01	32859911
AllCCS	[M+Na-2H]-	257.115	32859911
AllCCS	[M+HCOO]-	260.647	32859911
DeepCCS	[M+H]+	252.692	30932474
DeepCCS	[M-H]-	250.797	30932474
DeepCCS	[M-2H]-	284.712	30932474
DeepCCS	[M+Na]+	258.73	30932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #1	C[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	6361.7	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #1	C[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	5634.0	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #1	C[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	9268.0	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #10	C[Si](C)(C)O[C@H]1[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)OC[C@H](O)[C@@H]1O	6375.5	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #10	C[Si](C)(C)O[C@H]1[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)OC[C@H](O)[C@@H]1O	5638.1	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #10	C[Si](C)(C)O[C@H]1[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)OC[C@H](O)[C@@H]1O	9154.9	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@@H](O)CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	6364.6	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@@H](O)CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	5637.8	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@@H](O)CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	8999.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1CC2=C(O)C=C3O[C@@]4(C5=CC=C(O)C(O)=C5)OC5=CC(O)=CC(O)=C5[C@@H](C3=C2O[C@@H]1C1=CC=C(O)C(O)=C1)[C@@H]4O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6375.1	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1CC2=C(O)C=C3O[C@@]4(C5=CC=C(O)C(O)=C5)OC5=CC(O)=CC(O)=C5[C@@H](C3=C2O[C@@H]1C1=CC=C(O)C(O)=C1)[C@@H]4O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5573.2	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1CC2=C(O)C=C3O[C@@]4(C5=CC=C(O)C(O)=C5)OC5=CC(O)=CC(O)=C5[C@@H](C3=C2O[C@@H]1C1=CC=C(O)C(O)=C1)[C@@H]4O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	9372.8	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6418.4	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5690.3	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	9146.2	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6389.6	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5680.5	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	9277.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6336.3	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5555.7	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	9123.4	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #6	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6413.0	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #6	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5679.0	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #6	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	9238.7	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #7	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6403.0	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #7	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5661.3	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #7	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	9332.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6392.7	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5617.7	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	9224.5	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6389.1	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5585.7	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	9277.5	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	6273.7	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5499.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	8638.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #10	C[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O[Si](C)(C)C	6238.5	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #10	C[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O[Si](C)(C)C	5496.1	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #10	C[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O[Si](C)(C)C	8425.3	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6203.4	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5406.8	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8538.6	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O[Si](C)(C)C)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6241.4	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O[Si](C)(C)C)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5555.8	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O[Si](C)(C)C)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	8599.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O[Si](C)(C)C)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6219.4	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O[Si](C)(C)C)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5547.6	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O[Si](C)(C)C)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8675.4	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6278.0	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5461.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8672.5	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6247.7	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5470.5	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8649.6	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O[Si](C)(C)C)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6235.8	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O[Si](C)(C)C)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5544.0	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O[Si](C)(C)C)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	8670.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O[Si](C)(C)C)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6231.2	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O[Si](C)(C)C)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5525.7	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O[Si](C)(C)C)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8723.9	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@@H](O)CO[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(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	6238.2	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@@H](O)CO[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(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	5520.6	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@@H](O)CO[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(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	8459.2	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #19	C[Si](C)(C)O[C@H]1[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(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)OC[C@H](O)[C@@H]1O	6246.4	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #19	C[Si](C)(C)O[C@H]1[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(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)OC[C@H](O)[C@@H]1O	5523.4	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #19	C[Si](C)(C)O[C@H]1[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(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)OC[C@H](O)[C@@H]1O	8585.7	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	6241.3	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5511.0	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	8616.9	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O[Si](C)(C)C)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6165.5	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O[Si](C)(C)C)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5517.5	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O[Si](C)(C)C)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	8452.0	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(C=C(O)C=C4O[Si](C)(C)C)O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6287.8	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(C=C(O)C=C4O[Si](C)(C)C)O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5545.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(C=C(O)C=C4O[Si](C)(C)C)O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	8541.8	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6229.3	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5567.0	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8530.7	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O[Si](C)(C)C)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6181.5	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O[Si](C)(C)C)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5644.3	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O[Si](C)(C)C)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	8512.4	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O[Si](C)(C)C)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6181.4	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O[Si](C)(C)C)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5627.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O[Si](C)(C)C)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	8561.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	6212.8	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	5599.7	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	8350.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	6230.7	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	5604.2	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	8471.4	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #27	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	6224.4	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #27	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	5588.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #27	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	8379.7	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #28	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O[Si](C)(C)C)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6141.4	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #28	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O[Si](C)(C)C)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5503.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #28	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O[Si](C)(C)C)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8531.7	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #29	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(C=C(O)C=C4O[Si](C)(C)C)O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6257.8	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #29	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(C=C(O)C=C4O[Si](C)(C)C)O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5538.1	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #29	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(C=C(O)C=C4O[Si](C)(C)C)O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8626.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	6225.8	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	5582.8	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	8636.5	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6203.1	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5557.1	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8611.9	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #31	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6156.0	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #31	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5629.2	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #31	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	8631.2	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #32	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O[Si](C)(C)C)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6155.5	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #32	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O[Si](C)(C)C)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5617.4	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #32	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O[Si](C)(C)C)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8647.8	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #33	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	6182.1	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #33	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	5593.4	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #33	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	8425.3	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #34	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	6202.4	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #34	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	5598.2	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #34	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	8550.9	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #35	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6228.1	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #35	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5411.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #35	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8513.6	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6184.9	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5421.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8497.9	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #37	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O[Si](C)(C)C)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6150.8	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #37	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O[Si](C)(C)C)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5502.3	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #37	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O[Si](C)(C)C)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	8519.7	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #38	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O[Si](C)(C)C)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6155.8	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #38	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O[Si](C)(C)C)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5480.4	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #38	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O[Si](C)(C)C)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8570.6	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	6170.8	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5464.0	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	8313.6	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #4	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	6224.8	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #4	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	5566.0	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #4	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	8689.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #40	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	6180.7	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #40	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5468.2	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #40	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	8442.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #41	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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6210.8	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #41	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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5561.0	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #41	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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8558.9	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #42	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O[Si](C)(C)C)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6273.7	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #42	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O[Si](C)(C)C)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5538.3	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #42	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O[Si](C)(C)C)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	8588.9	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #43	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	6204.0	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #43	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	5587.5	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #43	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	8418.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #44	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	6221.0	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #44	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	5592.0	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #44	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	8540.5	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #45	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	6220.1	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #45	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	5564.4	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #45	C[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	8450.7	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #46	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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6215.4	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #46	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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5541.7	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #46	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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8611.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #47	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O[Si](C)(C)C)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6277.5	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #47	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O[Si](C)(C)C)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5521.3	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #47	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O[Si](C)(C)C)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8643.8	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #48	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	6202.5	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #48	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	5570.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #48	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	8466.5	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #49	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	6221.6	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #49	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	5575.7	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #49	C[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	8592.4	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	6190.9	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5459.2	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	8537.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #50	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6256.4	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #50	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5467.0	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #50	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8512.4	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	6227.1	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5515.6	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	8392.8	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	6238.2	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5521.5	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	8520.4	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #53	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	6262.2	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #53	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5503.7	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #53	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	8412.2	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #54	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	6271.5	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #54	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5506.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #54	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	8541.5	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #55	C[Si](C)(C)O[C@H]1[C@@H](O)CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O[Si](C)(C)C	6244.1	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #55	C[Si](C)(C)O[C@H]1[C@@H](O)CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O[Si](C)(C)C	5513.3	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #55	C[Si](C)(C)O[C@H]1[C@@H](O)CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O[Si](C)(C)C	8360.6	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #6	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	6235.6	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #6	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	5595.6	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #6	C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	8565.4	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #7	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	6207.0	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #7	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	5588.4	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #7	C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	8645.7	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #8	C[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	6243.1	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #8	C[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	5514.2	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #8	C[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	8683.5	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #9	C[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O[Si](C)(C)C)[C@H]1O	6261.7	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #9	C[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O[Si](C)(C)C)[C@H]1O	5524.0	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,2TMS,isomer #9	C[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O[Si](C)(C)C)[C@H]1O	8512.7	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	6572.6	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	5845.6	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@H](O)[C@H]1O	8979.4	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)OC[C@H](O)[C@@H]1O	6587.7	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)OC[C@H](O)[C@@H]1O	5848.2	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)OC[C@H](O)[C@@H]1O	8893.3	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	6577.0	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	5847.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)CO[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(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C23)[C@@H]1O	8767.3	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1CC2=C(O)C=C3O[C@@]4(C5=CC=C(O)C(O)=C5)OC5=CC(O)=CC(O)=C5[C@@H](C3=C2O[C@@H]1C1=CC=C(O)C(O)=C1)[C@@H]4O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6572.2	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1CC2=C(O)C=C3O[C@@]4(C5=CC=C(O)C(O)=C5)OC5=CC(O)=CC(O)=C5[C@@H](C3=C2O[C@@H]1C1=CC=C(O)C(O)=C1)[C@@H]4O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5782.2	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1CC2=C(O)C=C3O[C@@]4(C5=CC=C(O)C(O)=C5)OC5=CC(O)=CC(O)=C5[C@@H](C3=C2O[C@@H]1C1=CC=C(O)C(O)=C1)[C@@H]4O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	9067.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6616.1	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5879.1	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	8882.8	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6591.5	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5865.4	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@@H]3C4=C(O)C=C(O)C=C4O[C@](C4=CC=C(O)C(O)=C4)(O2)[C@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	8959.1	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6556.2	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5738.2	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@@H]1C3=C(O)C=C(O)C=C3O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8868.3	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	6604.0	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	5864.4	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1O	8957.8	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	6603.8	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	5842.4	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC([C@@]23OC4=CC(O)=CC(O)=C4[C@@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@@H]3O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	9012.4	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6595.8	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5778.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@H]2[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8950.8	Standard polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	6613.0	Semi standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	5771.9	Standard non polar	33892256
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	8972.8	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 - ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 10V, Positive-QTOF	splash10-0a6r-0200193200-74b44aea61cf7c09fefc	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 20V, Positive-QTOF	splash10-056r-0300591000-5a1ed6fbefbcd473e45d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 40V, Positive-QTOF	splash10-0a4i-1911611000-97ae460b0ad9fdaca0cb	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 10V, Negative-QTOF	splash10-0a4i-1410094800-e923afd15034bca492cc	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 20V, Negative-QTOF	splash10-0ke9-0900182000-4a2e179235dd17764b70	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 40V, Negative-QTOF	splash10-0a4l-6951520000-a9a85ff192f9fcaf0a9f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 10V, Positive-QTOF	splash10-0a4i-0000093700-852ab37c54e0953ba44c	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 20V, Positive-QTOF	splash10-0a7i-1200389500-6ac739ccbb637eed8fd3	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 40V, Positive-QTOF	splash10-000t-4400749000-74c5d70691c7f264f4c4	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 10V, Negative-QTOF	splash10-0aor-0200009300-482c43b5afb779cef42c	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 20V, Negative-QTOF	splash10-0a4i-8300097400-7138169ce0ef9dd0c4c3	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside 40V, Negative-QTOF	splash10-054o-9600256100-7ac4f4a99aac181d3530	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

FDB001647

KNApSAcK ID

Not Available

Chemspider ID

59696214

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14841175

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside (HMDB0301938)

MOL for HMDB0301938 (ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside)

3D MOL for HMDB0301938 (ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside)

3D SDF for HMDB0301938 (ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside)

3D-SDF for HMDB0301938 (ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside)

PDB for HMDB0301938 (ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside)

3D PDB for HMDB0301938 (ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside)

SMILES for HMDB0301938 (ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside)

INCHI for HMDB0301938 (ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside)

Structure for HMDB0301938 (ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside)

3D Structure for HMDB0301938 (ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra