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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 03:38:51 UTC

Update Date

2022-03-07 02:57:10 UTC

HMDB ID

HMDB0041728

Secondary Accession Numbers

HMDB41728

Metabolite Identification

Common Name

(-)-Epicatechin 3'-O-glucuronide

Description

(-)-Epicatechin 3'-O-glucuronide belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Based on a literature review very few articles have been published on (-)-Epicatechin 3'-O-glucuronide.

Structure

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

  Mrv0541 02271201302D          

 33 36  0  0  0  0            999 V2000
   -1.7859   -2.0526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859   -1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4995   -0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4995    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145    0.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859    0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710   -0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.8151    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0723   -1.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    0.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.0099    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0723    0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010    0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010    1.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145    1.6596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    1.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    1.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    2.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2149    2.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9294    2.8971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9294    3.7221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2149    4.1346    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5005    3.7221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5005    2.8971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7860    4.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2149    4.9596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    4.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    2.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3583    2.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    1.6596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 27 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  6  0  0  0
 25 29  1  1  0  0  0
 24 30  1  6  0  0  0
 23 31  1  1  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END

HMDB0041728
     RDKit          3D
(-)-Epicatechin 3'-O-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
   -7.0234   -0.7217   -1.8279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8015   -0.9290   -1.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1094   -1.1066   -2.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0750   -0.9872   -0.4835 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7435   -1.2238   -0.6601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9141   -0.5769    0.2423 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5521    0.6836   -0.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030    1.1180   -0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301    0.4152   -0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0996    0.9006   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3624    0.1476   -0.7749 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3721    0.9487   -0.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6172    0.3162   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7645    1.0469    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9915    0.4744    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1306    1.2309    0.5534 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1169   -0.8933    0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9784   -1.6473    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1296   -3.0040   -0.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7268   -1.0768   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5572   -1.9379   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3032   -1.1226   -0.0008 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3719   -0.8404    1.3515 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1747    2.2043   -1.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216    2.9720   -1.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1922    2.4337   -1.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3362    3.2123   -1.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5047   -0.5128    1.6308 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4468   -1.7780    2.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8613    0.1020    1.6772 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9538    1.2492    2.4241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3983    0.2761    0.2596 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8005    0.3723    0.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0286   -2.0075   -3.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5092   -1.8324    0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0037   -1.1976    0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1689   -0.5947   -0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7327   -0.0990   -1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    2.1173    0.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6964    1.5754   -0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0801   -1.3959    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670   -3.6163   -0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5048   -2.1689   -1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   -2.8748    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4578   -1.7918   -0.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188    0.0695    1.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1240    2.6370   -1.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0701    4.0007   -1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2955    4.1509   -1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8194    0.1345    2.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5412   -2.4370    1.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5499   -0.6536    2.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4781    1.9991    1.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183    1.1844   -0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1477    1.0551   -0.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 10 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
  6 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32  4  1  0
 26  8  1  0
 22 11  1  0
 20 13  1  0
  3 34  1  0
  4 35  1  1
  6 36  1  1
  9 37  1  0
 11 38  1  6
 14 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 21 43  1  0
 21 44  1  0
 22 45  1  1
 23 46  1  0
 24 47  1  0
 25 48  1  0
 27 49  1  0
 28 50  1  1
 29 51  1  0
 30 52  1  1
 31 53  1  0
 32 54  1  6
 33 55  1  0
M  END

  Mrv0541 02271201302D          

 33 36  0  0  0  0            999 V2000
   -1.7859   -2.0526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859   -1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4995   -0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4995    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145    0.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859    0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710   -0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.8151    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0723   -1.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    0.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.0099    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0723    0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010    0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010    1.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145    1.6596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    1.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    1.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    2.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2149    2.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9294    2.8971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9294    3.7221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2149    4.1346    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5005    3.7221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5005    2.8971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7860    4.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2149    4.9596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    4.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    2.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3583    2.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    1.6596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 27 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  6  0  0  0
 25 29  1  1  0  0  0
 24 30  1  6  0  0  0
 23 31  1  1  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041728

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C1)C=C(O)C=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1

> <INCHI_KEY>
BUONZQIZWIITTB-CVPXIJHMSA-N

> <FORMULA>
C21H22O12

> <MOLECULAR_WEIGHT>
466.3922

> <EXACT_MASS>
466.111126168

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
42.31647940120593

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.08

> <JCHEM_LOGP>
-0.15268653999999993

> <ALOGPS_LOGS>
-2.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.26241340913678

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0064421603129543

> <JCHEM_PKA_STRONGEST_BASIC>
-3.686827976180033

> <JCHEM_POLAR_SURFACE_AREA>
206.59999999999997

> <JCHEM_REFRACTIVITY>
106.01149999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.89e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041728
     RDKit          3D
(-)-Epicatechin 3'-O-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
   -7.0234   -0.7217   -1.8279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8015   -0.9290   -1.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1094   -1.1066   -2.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0750   -0.9872   -0.4835 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7435   -1.2238   -0.6601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9141   -0.5769    0.2423 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5521    0.6836   -0.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030    1.1180   -0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301    0.4152   -0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0996    0.9006   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3624    0.1476   -0.7749 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3721    0.9487   -0.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6172    0.3162   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7645    1.0469    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9915    0.4744    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1306    1.2309    0.5534 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1169   -0.8933    0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9784   -1.6473    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1296   -3.0040   -0.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7268   -1.0768   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5572   -1.9379   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3032   -1.1226   -0.0008 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3719   -0.8404    1.3515 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1747    2.2043   -1.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216    2.9720   -1.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1922    2.4337   -1.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3362    3.2123   -1.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5047   -0.5128    1.6308 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4468   -1.7780    2.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8613    0.1020    1.6772 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9538    1.2492    2.4241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3983    0.2761    0.2596 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8005    0.3723    0.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0286   -2.0075   -3.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5092   -1.8324    0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0037   -1.1976    0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1689   -0.5947   -0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7327   -0.0990   -1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    2.1173    0.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6964    1.5754   -0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0801   -1.3959    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670   -3.6163   -0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5048   -2.1689   -1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   -2.8748    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4578   -1.7918   -0.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188    0.0695    1.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1240    2.6370   -1.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0701    4.0007   -1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2955    4.1509   -1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8194    0.1345    2.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5412   -2.4370    1.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5499   -0.6536    2.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4781    1.9991    1.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183    1.1844   -0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1477    1.0551   -0.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 10 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
  6 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32  4  1  0
 26  8  1  0
 22 11  1  0
 20 13  1  0
  3 34  1  0
  4 35  1  1
  6 36  1  1
  9 37  1  0
 11 38  1  6
 14 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 21 43  1  0
 21 44  1  0
 22 45  1  1
 23 46  1  0
 24 47  1  0
 25 48  1  0
 27 49  1  0
 28 50  1  1
 29 51  1  0
 30 52  1  1
 31 53  1  0
 32 54  1  6
 33 55  1  0
M  END

HEADER    PROTEIN                                 27-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-FEB-12         0                                  
HETATM    1  O   UNK     0      -3.334  -3.832   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -3.334  -2.291   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.666  -1.522   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.666   0.018   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -6.000   0.788   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -3.334   0.788   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.999   0.018   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.999  -1.522   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.667  -2.291   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.667  -1.522   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.002  -2.291   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -0.667   0.788   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.667   0.018   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.002   0.788   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.334   0.018   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.669   0.788   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.669   2.328   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.000   3.098   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.002   2.328   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.334   3.098   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       3.334   4.638   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       6.001   4.638   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.335   5.408   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.335   6.948   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.001   7.718   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.668   6.948   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.668   5.408   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       3.334   7.718   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       6.001   9.258   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       8.669   7.718   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.669   4.638   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      10.002   5.408   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       8.669   3.098   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    2    7    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   13                                                  
CONECT   11   10                                                            
CONECT   12    7   13                                                       
CONECT   13   10   12   14                                                  
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17                                                            
CONECT   19   14   20                                                       
CONECT   20   17   19   21                                                  
CONECT   21   20   27                                                       
CONECT   22   23   27                                                       
CONECT   23   22   24   31                                                  
CONECT   24   23   25   30                                                  
CONECT   25   24   26   29                                                  
CONECT   26   25   27   28                                                  
CONECT   27   21   26   22                                                  
CONECT   28   26                                                            
CONECT   29   25                                                            
CONECT   30   24                                                            
CONECT   31   23   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

COMPND    HMDB0041728
HETATM    1  O1  UNL     1      -7.023  -0.722  -1.828  1.00  0.00           O  
HETATM    2  C1  UNL     1      -5.801  -0.929  -1.797  1.00  0.00           C  
HETATM    3  O2  UNL     1      -5.109  -1.107  -2.976  1.00  0.00           O  
HETATM    4  C2  UNL     1      -5.075  -0.987  -0.483  1.00  0.00           C  
HETATM    5  O3  UNL     1      -3.743  -1.224  -0.660  1.00  0.00           O  
HETATM    6  C3  UNL     1      -2.914  -0.577   0.242  1.00  0.00           C  
HETATM    7  O4  UNL     1      -2.552   0.684  -0.247  1.00  0.00           O  
HETATM    8  C4  UNL     1      -1.303   1.118  -0.579  1.00  0.00           C  
HETATM    9  C5  UNL     1      -0.130   0.415  -0.506  1.00  0.00           C  
HETATM   10  C6  UNL     1       1.100   0.901  -0.852  1.00  0.00           C  
HETATM   11  C7  UNL     1       2.362   0.148  -0.775  1.00  0.00           C  
HETATM   12  O5  UNL     1       3.372   0.949  -0.189  1.00  0.00           O  
HETATM   13  C8  UNL     1       4.617   0.316  -0.041  1.00  0.00           C  
HETATM   14  C9  UNL     1       5.765   1.047   0.182  1.00  0.00           C  
HETATM   15  C10 UNL     1       6.991   0.474   0.331  1.00  0.00           C  
HETATM   16  O6  UNL     1       8.131   1.231   0.553  1.00  0.00           O  
HETATM   17  C11 UNL     1       7.117  -0.893   0.261  1.00  0.00           C  
HETATM   18  C12 UNL     1       5.978  -1.647   0.038  1.00  0.00           C  
HETATM   19  O7  UNL     1       6.130  -3.004  -0.028  1.00  0.00           O  
HETATM   20  C13 UNL     1       4.727  -1.077  -0.114  1.00  0.00           C  
HETATM   21  C14 UNL     1       3.557  -1.938  -0.345  1.00  0.00           C  
HETATM   22  C15 UNL     1       2.303  -1.123  -0.001  1.00  0.00           C  
HETATM   23  O8  UNL     1       2.372  -0.840   1.352  1.00  0.00           O  
HETATM   24  C16 UNL     1       1.175   2.204  -1.316  1.00  0.00           C  
HETATM   25  C17 UNL     1       0.022   2.972  -1.415  1.00  0.00           C  
HETATM   26  C18 UNL     1      -1.192   2.434  -1.052  1.00  0.00           C  
HETATM   27  O9  UNL     1      -2.336   3.212  -1.156  1.00  0.00           O  
HETATM   28  C19 UNL     1      -3.505  -0.513   1.631  1.00  0.00           C  
HETATM   29  O10 UNL     1      -3.447  -1.778   2.222  1.00  0.00           O  
HETATM   30  C20 UNL     1      -4.861   0.102   1.677  1.00  0.00           C  
HETATM   31  O11 UNL     1      -4.954   1.249   2.424  1.00  0.00           O  
HETATM   32  C21 UNL     1      -5.398   0.276   0.260  1.00  0.00           C  
HETATM   33  O12 UNL     1      -6.801   0.372   0.331  1.00  0.00           O  
HETATM   34  H1  UNL     1      -5.029  -2.007  -3.415  1.00  0.00           H  
HETATM   35  H2  UNL     1      -5.509  -1.832   0.117  1.00  0.00           H  
HETATM   36  H3  UNL     1      -2.004  -1.198   0.325  1.00  0.00           H  
HETATM   37  H4  UNL     1      -0.169  -0.595  -0.149  1.00  0.00           H  
HETATM   38  H5  UNL     1       2.733  -0.099  -1.806  1.00  0.00           H  
HETATM   39  H6  UNL     1       5.679   2.117   0.238  1.00  0.00           H  
HETATM   40  H7  UNL     1       8.696   1.575  -0.235  1.00  0.00           H  
HETATM   41  H8  UNL     1       8.080  -1.396   0.374  1.00  0.00           H  
HETATM   42  H9  UNL     1       5.367  -3.616  -0.188  1.00  0.00           H  
HETATM   43  H10 UNL     1       3.505  -2.169  -1.427  1.00  0.00           H  
HETATM   44  H11 UNL     1       3.558  -2.875   0.264  1.00  0.00           H  
HETATM   45  H12 UNL     1       1.458  -1.792  -0.262  1.00  0.00           H  
HETATM   46  H13 UNL     1       2.719   0.070   1.538  1.00  0.00           H  
HETATM   47  H14 UNL     1       2.124   2.637  -1.603  1.00  0.00           H  
HETATM   48  H15 UNL     1       0.070   4.001  -1.779  1.00  0.00           H  
HETATM   49  H16 UNL     1      -2.295   4.151  -1.488  1.00  0.00           H  
HETATM   50  H17 UNL     1      -2.819   0.134   2.232  1.00  0.00           H  
HETATM   51  H18 UNL     1      -3.541  -2.437   1.496  1.00  0.00           H  
HETATM   52  H19 UNL     1      -5.550  -0.654   2.155  1.00  0.00           H  
HETATM   53  H20 UNL     1      -4.478   1.999   1.957  1.00  0.00           H  
HETATM   54  H21 UNL     1      -5.018   1.184  -0.221  1.00  0.00           H  
HETATM   55  H22 UNL     1      -7.148   1.055  -0.313  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   34
CONECT    4    5   32   35
CONECT    5    6
CONECT    6    7   28   36
CONECT    7    8
CONECT    8    9    9   26
CONECT    9   10   37
CONECT   10   11   24   24
CONECT   11   12   22   38
CONECT   12   13
CONECT   13   14   14   20
CONECT   14   15   39
CONECT   15   16   17   17
CONECT   16   40
CONECT   17   18   41
CONECT   18   19   20   20
CONECT   19   42
CONECT   20   21
CONECT   21   22   43   44
CONECT   22   23   45
CONECT   23   46
CONECT   24   25   47
CONECT   25   26   26   48
CONECT   26   27
CONECT   27   49
CONECT   28   29   30   50
CONECT   29   51
CONECT   30   31   32   52
CONECT   31   53
CONECT   32   33   54
CONECT   33   55
END

HMDB0041728
     RDKit          3D
(-)-Epicatechin 3'-O-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
   -7.0234   -0.7217   -1.8279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8015   -0.9290   -1.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1094   -1.1066   -2.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0750   -0.9872   -0.4835 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7435   -1.2238   -0.6601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9141   -0.5769    0.2423 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5521    0.6836   -0.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030    1.1180   -0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301    0.4152   -0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0996    0.9006   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3624    0.1476   -0.7749 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3721    0.9487   -0.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6172    0.3162   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7645    1.0469    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9915    0.4744    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1306    1.2309    0.5534 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1169   -0.8933    0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9784   -1.6473    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1296   -3.0040   -0.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7268   -1.0768   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5572   -1.9379   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3032   -1.1226   -0.0008 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3719   -0.8404    1.3515 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1747    2.2043   -1.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216    2.9720   -1.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1922    2.4337   -1.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3362    3.2123   -1.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5047   -0.5128    1.6308 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4468   -1.7780    2.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8613    0.1020    1.6772 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9538    1.2492    2.4241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3983    0.2761    0.2596 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8005    0.3723    0.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0286   -2.0075   -3.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5092   -1.8324    0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0037   -1.1976    0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1689   -0.5947   -0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7327   -0.0990   -1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    2.1173    0.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6964    1.5754   -0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0801   -1.3959    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670   -3.6163   -0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5048   -2.1689   -1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   -2.8748    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4578   -1.7918   -0.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188    0.0695    1.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1240    2.6370   -1.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0701    4.0007   -1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2955    4.1509   -1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8194    0.1345    2.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5412   -2.4370    1.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5499   -0.6536    2.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4781    1.9991    1.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183    1.1844   -0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1477    1.0551   -0.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 10 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
  6 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32  4  1  0
 26  8  1  0
 22 11  1  0
 20 13  1  0
  3 34  1  0
  4 35  1  1
  6 36  1  1
  9 37  1  0
 11 38  1  6
 14 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 21 43  1  0
 21 44  1  0
 22 45  1  1
 23 46  1  0
 24 47  1  0
 25 48  1  0
 27 49  1  0
 28 50  1  1
 29 51  1  0
 30 52  1  1
 31 53  1  0
 32 54  1  6
 33 55  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Epicatechin 3'-O-glucuronide	HMDB
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-{2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylate	HMDB

Chemical Formula

C₂₁H₂₂O₁₂

Average Molecular Weight

466.3922

Monoisotopic Molecular Weight

466.111126168

IUPAC Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C1)C=C(O)C=C2O

InChI Identifier

InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1

InChI Key

BUONZQIZWIITTB-CVPXIJHMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid O-glucuronides

Alternative Parents

Substituents

Flavonoid-3p-o-glucuronide
Catechin
Hydroxyflavonoid
Flavan-3-ol
3-hydroxyflavonoid
7-hydroxyflavonoid
5-hydroxyflavonoid
4'-hydroxyflavonoid
Flavan
Phenolic glycoside
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
O-glycosyl compound
Glycosyl compound
1-benzopyran
Benzopyran
Chromane
Phenoxy compound
Phenol ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Beta-hydroxy acid
Phenol
Pyran
Benzenoid
Monosaccharide
Oxane
Monocyclic benzene moiety
Hydroxy acid
Secondary alcohol
Acetal
Polyol
Ether
Organoheterocyclic compound
Carboxylic acid
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Oxacycle
Organooxygen compound
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 12654472)

Organ

Liver (HMDB: HMDB0041728)
Kidney (HMDB: HMDB0041728)

Excreta

Biofluid or Excreta

Urine (PMID: 12654472)

Cellular substructure

Extracellular (HMDB: HMDB0041728)
Cytoplasm (HMDB: HMDB0041728)

Source

Endogenous

Endogenous (HMDB: HMDB0041728)

Plant

Plant (HMDB: HMDB0041728)

Exogenous

Food

Food (HMDB: HMDB0041728)

Cocoa and cocoa product

Cocoa and cocoa products (HMDB: HMDB0041728)

Tea

Tea products (HMDB: HMDB0041728)

Nut

Nuts (HMDB: HMDB0041728)

Beverage

Alcoholic beverage

Red wine (HMDB: HMDB0041728)

Fruit

Berries (HMDB: HMDB0041728)

Pome

Apple (HMDB: HMDB0041728)

Exogenous (HMDB: HMDB0041728)

Process

Not Available

Role

Biological role

Waste product (HMDB: HMDB0041728)

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
Water Solubility	2.89 g/L	ALOGPS
logP	0.08	ALOGPS
logP	-0.15	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	3.01	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	206.6 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	106.01 m³·mol⁻¹	ChemAxon
Polarizability	42.32 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	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
DarkChem	[M+H]+	206.105	31661259
DarkChem	[M-H]-	202.876	31661259
DeepCCS	[M+H]+	205.746	30932474
DeepCCS	[M-H]-	203.922	30932474
DeepCCS	[M-2H]-	237.164	30932474
DeepCCS	[M+Na]+	211.352	30932474
AllCCS	[M+H]+	206.5	32859911
AllCCS	[M+H-H2O]+	204.3	32859911
AllCCS	[M+NH4]+	208.5	32859911
AllCCS	[M+Na]+	209.1	32859911
AllCCS	[M-H]-	202.1	32859911
AllCCS	[M+Na-2H]-	202.7	32859911
AllCCS	[M+HCOO]-	203.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(-)-Epicatechin 3'-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C1)C=C(O)C=C2O	5694.0	Standard polar	33892256
(-)-Epicatechin 3'-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C1)C=C(O)C=C2O	4007.0	Standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C1)C=C(O)C=C2O	4461.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(-)-Epicatechin 3'-O-glucuronide,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=C1	4160.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TMS,isomer #2	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4162.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@H]1O	4164.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)O[C@H](C(=O)O)[C@H]1O	4148.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4171.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4124.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4134.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C1)O2	4122.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C1)O2	4032.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4049.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #11	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4082.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4054.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #13	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4081.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4063.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	4010.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C1)O2	4021.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@H]1O	4083.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@H]1O[Si](C)(C)C	4068.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@@H]1O[Si](C)(C)C	4061.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4020.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	3984.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C1)O2	3986.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4028.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4013.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C1)O2	4015.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4057.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4010.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4004.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #28	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	4008.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4083.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4046.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@H]1O	4086.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)O[C@H](C(=O)O)[C@H]1O	4051.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4077.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4044.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TMS,isomer #9	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4043.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3926.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	3896.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3927.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3958.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #13	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4007.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #14	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3963.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #15	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3995.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3982.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3933.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3986.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@H]1O	3993.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	3960.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	3970.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@@H]1O[Si](C)(C)C	3959.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #22	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3946.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3942.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	3967.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	3930.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3958.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3934.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #28	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3964.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #29	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3927.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	3912.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #30	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3959.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3978.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3943.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3986.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3978.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #35	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4002.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #36	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3973.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3955.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3942.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #39	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4001.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C1)O2	3951.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #40	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3969.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #41	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3949.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	3928.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #43	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3948.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #44	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C1)O2	3923.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #45	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C1)O2	3939.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #46	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C	3979.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #47	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3962.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3919.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C1)O2	3916.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C1)O2	3905.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #50	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3916.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #51	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3913.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #52	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3895.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #53	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3942.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #54	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3944.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #55	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3935.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #56	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	3945.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C1)O2	3941.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	3956.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	3920.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	3940.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3913.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3861.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3828.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3862.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C1)O2	3869.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C1)O2	3875.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C1)O2	3851.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3869.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	3909.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	3875.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3899.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	3888.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3872.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3846.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3874.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	3868.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3878.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3855.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3925.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3896.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3926.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #29	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3937.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #3	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3897.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #30	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3947.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #31	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3922.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3912.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3950.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #34	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3921.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #35	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C	3940.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #36	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3911.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #37	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3933.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #38	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3898.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3925.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #4	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3870.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #40	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3893.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #41	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3869.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #42	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3897.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #43	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	3908.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #44	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3917.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #45	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3894.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #46	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3885.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #47	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3855.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #48	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3885.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #49	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3903.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3887.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #50	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3907.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #51	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3887.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #52	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3912.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #53	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3941.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #54	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3921.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #55	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3943.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #56	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3919.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #57	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3909.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #58	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3884.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #59	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3899.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3871.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #60	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3869.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #61	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3957.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #62	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3895.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #63	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3901.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3902.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #65	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C1)O2	3892.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #66	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3880.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #67	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3864.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #68	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3885.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #69	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3885.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #7	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3910.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #70	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3913.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #8	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3877.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,4TMS,isomer #9	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3900.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3880.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #10	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3862.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3876.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3846.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3879.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #14	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3877.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #15	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3878.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #16	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3855.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3852.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3878.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3856.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3900.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C1)O2	3868.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3887.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3860.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3889.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	3887.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3891.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3868.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3867.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3886.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3868.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #3	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3869.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3881.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3885.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3912.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3890.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #34	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3915.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #35	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3919.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #36	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3898.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3875.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3900.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3905.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #4	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3882.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #40	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3909.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #41	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3886.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #42	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3881.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3899.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3884.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #45	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3899.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #46	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3866.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #47	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3889.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #48	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3870.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #49	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3886.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3876.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #50	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3924.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #51	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3902.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #52	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3881.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #53	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3901.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #54	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3894.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #55	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3893.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #56	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3876.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3860.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3881.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3873.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,5TMS,isomer #9	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3883.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3867.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #10	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3887.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3866.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3886.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3868.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #14	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3887.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3888.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3876.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3891.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3876.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	3901.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3853.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3893.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3894.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3864.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3879.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3865.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #25	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3900.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3911.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3897.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3878.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3871.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #4	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C1	3885.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3882.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #6	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3869.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3862.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3879.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,6TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3862.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=C1	4391.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4428.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@H]1O	4410.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)O[C@H](C(=O)O)[C@H]1O	4396.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4419.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4430.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4378.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C1)O2	4363.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C1)O2	4432.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4527.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4507.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4493.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4515.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4522.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	4469.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)=C1)O2	4448.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4494.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4475.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4480.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4445.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)OC2=C1	4458.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C1)O2	4430.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4493.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4480.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C1)O2	4461.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4518.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4497.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4475.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	4474.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4488.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4488.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O)[C@H]1O	4464.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)O[C@H](C(=O)O)[C@H]1O	4445.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4466.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4510.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4483.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	4581.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)OC2=C1	4544.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4559.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4604.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4579.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4552.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4584.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4565.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4518.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4559.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4550.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4579.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1	4526.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4526.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	4642.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4642.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	4617.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)OC2=C1	4599.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4624.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4614.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4586.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4565.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4553.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4595.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4625.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4592.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4624.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4585.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4610.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4587.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4617.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4575.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4610.8	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)=C1)O2	4531.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4561.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	4613.7	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)OC2=C1	4579.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4594.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C1)O2	4540.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C1)O2	4549.4	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C(C)(C)C	4560.5	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4557.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4580.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=C1)O2	4536.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C1)O2	4508.9	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	4610.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4602.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4551.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	4619.6	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4622.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4582.0	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4632.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C1)O2	4536.2	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4599.3	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4582.1	Semi standard non polar	33892256
(-)-Epicatechin 3'-O-glucuronide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	4553.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epicatechin 3'-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	splash10-054k-9108500000-11fc73b483920ad69445	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epicatechin 3'-O-glucuronide GC-MS (3 TMS) - 70eV, Positive	splash10-014i-7200029000-8ed5a427129980dfbe90	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epicatechin 3'-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epicatechin 3'-O-glucuronide GC-MS (TMS_5_30) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epicatechin 3'-O-glucuronide GC-MS (TMS_6_19) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epicatechin 3'-O-glucuronide GC-MS (TBDMS_3_23) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epicatechin 3'-O-glucuronide GC-MS ("(-)-Epicatechin 3'-O-glucuronide,5TMS,#30" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 3'-O-glucuronide 10V, Positive-QTOF	splash10-00rg-0690800000-1545d8c57f3e28f4a41e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 3'-O-glucuronide 20V, Positive-QTOF	splash10-007c-0970100000-467fb1b9e89f4d4e2654	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 3'-O-glucuronide 40V, Positive-QTOF	splash10-00di-0910000000-d139ac043424be2eebb3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 3'-O-glucuronide 10V, Negative-QTOF	splash10-014r-1340900000-f16fa20f169f9fd80f39	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 3'-O-glucuronide 20V, Negative-QTOF	splash10-000i-2891400000-d53ae30092c98483fff9	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 3'-O-glucuronide 40V, Negative-QTOF	splash10-002r-2930000000-3421cc335bec124835c0	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 3'-O-glucuronide 10V, Negative-QTOF	splash10-014i-0040900000-865fa171ff6eba7feaf5	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 3'-O-glucuronide 20V, Negative-QTOF	splash10-000i-2291100000-e08eaada0e748a6c60ae	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 3'-O-glucuronide 40V, Negative-QTOF	splash10-052r-5594000000-4e8b5e9d3e350a32525d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 3'-O-glucuronide 10V, Positive-QTOF	splash10-00kg-0080900000-4bdd5c9903d79867c7b7	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 3'-O-glucuronide 20V, Positive-QTOF	splash10-0007-0495600000-f6384e044df1a396ea7f	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 3'-O-glucuronide 40V, Positive-QTOF	splash10-00du-1891000000-3211d88eb1036587af91	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 768	12654472	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 768	18979506	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 768	20521274	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 768	18433082	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 768	12654472	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 768	18979506	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 768	20521274	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 768	18433082	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB029894

KNApSAcK ID

Not Available

Chemspider ID

30777621

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

76969982

PDB ID

Not Available

ChEBI ID

149599

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

Neveu V, Perez-Jimenez J, Vos F, Crespy V, du Chaffaut L, Mennen L, Knox C, Eisner R, Cruz J, Wishart D, Scalbert A: Phenol-Explorer: an online comprehensive database on polyphenol contents in foods. Database (Oxford). 2010;2010:bap024. doi: 10.1093/database/bap024. Epub 2010 Jan 8. [PubMed:20428313 ]

Showing metabocard for (-)-Epicatechin 3'-O-glucuronide (HMDB0041728)

MOL for HMDB0041728 ((-)-Epicatechin 3'-O-glucuronide)

3D MOL for HMDB0041728 ((-)-Epicatechin 3'-O-glucuronide)

3D SDF for HMDB0041728 ((-)-Epicatechin 3'-O-glucuronide)

3D-SDF for HMDB0041728 ((-)-Epicatechin 3'-O-glucuronide)

PDB for HMDB0041728 ((-)-Epicatechin 3'-O-glucuronide)

3D PDB for HMDB0041728 ((-)-Epicatechin 3'-O-glucuronide)

SMILES for HMDB0041728 ((-)-Epicatechin 3'-O-glucuronide)

INCHI for HMDB0041728 ((-)-Epicatechin 3'-O-glucuronide)

Structure for HMDB0041728 ((-)-Epicatechin 3'-O-glucuronide)

3D Structure for HMDB0041728 ((-)-Epicatechin 3'-O-glucuronide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra