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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-12 03:38:55 UTC

Update Date

2022-03-07 02:57:10 UTC

HMDB ID

HMDB0041729

Secondary Accession Numbers

HMDB41729

Metabolite Identification

Common Name

(-)-Epicatechin 7-O-glucuronide

Description

(-)-Epicatechin 7-O-glucuronide belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Based on a literature review very few articles have been published on (-)-Epicatechin 7-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
    1.7857    2.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.6597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    2.4847    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2145    2.8972    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9290    2.4847    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9290    1.6597    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2145    1.2472    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6435    1.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6435    2.8972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145    3.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856    2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856    3.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711    2.4847    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  5  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

HMDB0041729
     RDKit          3D
(-)-Epicatechin 7-O-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
   -4.6306    0.6225    3.9651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4350    0.2153    3.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5727   -0.4530    3.5257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1718    0.4432    1.6699 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9918    1.1202    1.5112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5462    1.2178    0.1930 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4968    0.3407    0.0443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    0.5748   -0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7271    1.8425   -0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6016    2.1111   -0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0256    3.4090   -1.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5058    1.0519   -0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739   -0.2309   -0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2593   -0.4448   -0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483   -1.3079   -0.8229 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.1054   -1.2295 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2420   -1.1494   -0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0355   -0.5212    1.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9765   -0.5744    2.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -1.2644    1.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1061   -1.3220    2.9763 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3645   -1.8918    0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5596   -2.5978    0.5488 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4282   -1.8355   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4937    0.1439   -2.0251 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8903    0.3475   -2.0688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105    1.3678   -1.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6241    0.8316   -0.7970 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6306    1.7753   -0.9046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1575   -0.5698   -0.5321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4405   -1.5122   -1.2727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0429   -0.9000    0.9399 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0702   -1.7574    1.2751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4396   -0.3659    3.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0584    0.9472    1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3305    2.2814    0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    2.6657   -0.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378    4.1457   -1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5700   -1.4506   -0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5160   -1.9544   -1.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.0142    1.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968   -0.0717    3.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9756   -1.8243    2.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7473   -3.0702   -0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5986   -2.3364   -1.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0894    0.0777   -3.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0211    1.0279   -2.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9165    2.1770   -2.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4358    1.6853   -0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1202    0.7763   -1.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3594    2.5892   -0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2081   -0.6119   -0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1925   -1.1069   -2.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0427   -1.2924    1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3844   -2.2797    0.4841 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
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 16 25  1  0
 25 26  1  0
 25 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
 14  8  1  0
 24 17  1  0
 27 12  1  0
  3 34  1  0
  4 35  1  6
  6 36  1  6
  9 37  1  0
 11 38  1  0
 14 39  1  0
 16 40  1  6
 18 41  1  0
 19 42  1  0
 21 43  1  0
 23 44  1  0
 24 45  1  0
 25 46  1  6
 26 47  1  0
 27 48  1  0
 27 49  1  0
 28 50  1  6
 29 51  1  0
 30 52  1  6
 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
    1.7857    2.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.6597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    2.4847    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2145    2.8972    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9290    2.4847    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9290    1.6597    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2145    1.2472    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6435    1.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6435    2.8972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145    3.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856    2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856    3.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711    2.4847    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  5  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>
HMDB0041729

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C21H22O12/c22-10-2-1-7(3-12(10)24)18-13(25)6-9-11(23)4-8(5-14(9)32-18)31-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,13,15-19,21-28H,6H2,(H,29,30)/t13-,15+,16+,17-,18-,19+,21-/m1/s1

> <INCHI_KEY>
FDWDKTKDGDLDTP-BBGDWMAASA-N

> <FORMULA>
C21H22O12

> <MOLECULAR_WEIGHT>
466.3922

> <EXACT_MASS>
466.111126168

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
43.94456515637078

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.04

> <JCHEM_LOGP>
-0.15268653999999993

> <ALOGPS_LOGS>
-2.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.041134110722899

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.8439218919579714

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6868267780566226

> <JCHEM_POLAR_SURFACE_AREA>
206.59999999999997

> <JCHEM_REFRACTIVITY>
106.01149999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.68e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041729
     RDKit          3D
(-)-Epicatechin 7-O-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
   -4.6306    0.6225    3.9651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4350    0.2153    3.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5727   -0.4530    3.5257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1718    0.4432    1.6699 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9918    1.1202    1.5112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5462    1.2178    0.1930 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4968    0.3407    0.0443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    0.5748   -0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7271    1.8425   -0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6016    2.1111   -0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0256    3.4090   -1.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5058    1.0519   -0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739   -0.2309   -0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2593   -0.4448   -0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483   -1.3079   -0.8229 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.1054   -1.2295 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2420   -1.1494   -0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0355   -0.5212    1.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9765   -0.5744    2.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -1.2644    1.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1061   -1.3220    2.9763 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3645   -1.8918    0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5596   -2.5978    0.5488 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4282   -1.8355   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4937    0.1439   -2.0251 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8903    0.3475   -2.0688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105    1.3678   -1.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6241    0.8316   -0.7970 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6306    1.7753   -0.9046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1575   -0.5698   -0.5321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4405   -1.5122   -1.2727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0429   -0.9000    0.9399 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0702   -1.7574    1.2751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4396   -0.3659    3.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0584    0.9472    1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3305    2.2814    0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    2.6657   -0.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378    4.1457   -1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5700   -1.4506   -0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5160   -1.9544   -1.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.0142    1.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968   -0.0717    3.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9756   -1.8243    2.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7473   -3.0702   -0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5986   -2.3364   -1.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0894    0.0777   -3.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0211    1.0279   -2.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9165    2.1770   -2.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4358    1.6853   -0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1202    0.7763   -1.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3594    2.5892   -0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2081   -0.6119   -0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1925   -1.1069   -2.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0427   -1.2924    1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3844   -2.2797    0.4841 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
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 16 25  1  0
 25 26  1  0
 25 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
 14  8  1  0
 24 17  1  0
 27 12  1  0
  3 34  1  0
  4 35  1  6
  6 36  1  6
  9 37  1  0
 11 38  1  0
 14 39  1  0
 16 40  1  6
 18 41  1  0
 19 42  1  0
 21 43  1  0
 23 44  1  0
 24 45  1  0
 25 46  1  6
 26 47  1  0
 27 48  1  0
 27 49  1  0
 28 50  1  6
 29 51  1  0
 30 52  1  6
 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       3.333   4.638   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.667   3.098   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -4.667   4.638   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.000   5.408   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -7.334   4.638   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -7.334   3.098   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.000   2.328   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -8.668   2.328   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -8.668   5.408   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -6.000   6.948   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -3.333   5.408   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -3.333   6.948   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -1.999   4.638   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   27                                                       
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                                                            
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    5   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    HMDB0041729
HETATM    1  O1  UNL     1      -4.631   0.622   3.965  1.00  0.00           O  
HETATM    2  C1  UNL     1      -5.435   0.215   3.092  1.00  0.00           C  
HETATM    3  O2  UNL     1      -6.573  -0.453   3.526  1.00  0.00           O  
HETATM    4  C2  UNL     1      -5.172   0.443   1.670  1.00  0.00           C  
HETATM    5  O3  UNL     1      -3.992   1.120   1.511  1.00  0.00           O  
HETATM    6  C3  UNL     1      -3.546   1.218   0.193  1.00  0.00           C  
HETATM    7  O4  UNL     1      -2.497   0.341   0.044  1.00  0.00           O  
HETATM    8  C4  UNL     1      -1.188   0.575  -0.294  1.00  0.00           C  
HETATM    9  C5  UNL     1      -0.727   1.842  -0.549  1.00  0.00           C  
HETATM   10  C6  UNL     1       0.602   2.111  -0.896  1.00  0.00           C  
HETATM   11  O5  UNL     1       1.026   3.409  -1.146  1.00  0.00           O  
HETATM   12  C7  UNL     1       1.506   1.052  -0.989  1.00  0.00           C  
HETATM   13  C8  UNL     1       1.074  -0.231  -0.739  1.00  0.00           C  
HETATM   14  C9  UNL     1      -0.259  -0.445  -0.397  1.00  0.00           C  
HETATM   15  O6  UNL     1       1.948  -1.308  -0.823  1.00  0.00           O  
HETATM   16  C10 UNL     1       3.260  -1.105  -1.229  1.00  0.00           C  
HETATM   17  C11 UNL     1       4.242  -1.149  -0.124  1.00  0.00           C  
HETATM   18  C12 UNL     1       4.035  -0.521   1.092  1.00  0.00           C  
HETATM   19  C13 UNL     1       4.976  -0.574   2.119  1.00  0.00           C  
HETATM   20  C14 UNL     1       6.154  -1.264   1.947  1.00  0.00           C  
HETATM   21  O7  UNL     1       7.106  -1.322   2.976  1.00  0.00           O  
HETATM   22  C15 UNL     1       6.365  -1.892   0.737  1.00  0.00           C  
HETATM   23  O8  UNL     1       7.560  -2.598   0.549  1.00  0.00           O  
HETATM   24  C16 UNL     1       5.428  -1.835  -0.276  1.00  0.00           C  
HETATM   25  C17 UNL     1       3.494   0.144  -2.025  1.00  0.00           C  
HETATM   26  O9  UNL     1       4.890   0.348  -2.069  1.00  0.00           O  
HETATM   27  C18 UNL     1       2.911   1.368  -1.360  1.00  0.00           C  
HETATM   28  C19 UNL     1      -4.624   0.832  -0.797  1.00  0.00           C  
HETATM   29  O10 UNL     1      -5.631   1.775  -0.905  1.00  0.00           O  
HETATM   30  C20 UNL     1      -5.158  -0.570  -0.532  1.00  0.00           C  
HETATM   31  O11 UNL     1      -4.440  -1.512  -1.273  1.00  0.00           O  
HETATM   32  C21 UNL     1      -5.043  -0.900   0.940  1.00  0.00           C  
HETATM   33  O12 UNL     1      -6.070  -1.757   1.275  1.00  0.00           O  
HETATM   34  H1  UNL     1      -7.440  -0.366   3.019  1.00  0.00           H  
HETATM   35  H2  UNL     1      -6.058   0.947   1.236  1.00  0.00           H  
HETATM   36  H3  UNL     1      -3.330   2.281   0.020  1.00  0.00           H  
HETATM   37  H4  UNL     1      -1.441   2.666  -0.474  1.00  0.00           H  
HETATM   38  H5  UNL     1       0.338   4.146  -1.068  1.00  0.00           H  
HETATM   39  H6  UNL     1      -0.570  -1.451  -0.208  1.00  0.00           H  
HETATM   40  H7  UNL     1       3.516  -1.954  -1.926  1.00  0.00           H  
HETATM   41  H8  UNL     1       3.121   0.014   1.228  1.00  0.00           H  
HETATM   42  H9  UNL     1       4.797  -0.072   3.075  1.00  0.00           H  
HETATM   43  H10 UNL     1       7.976  -1.824   2.866  1.00  0.00           H  
HETATM   44  H11 UNL     1       7.747  -3.070  -0.326  1.00  0.00           H  
HETATM   45  H12 UNL     1       5.599  -2.336  -1.239  1.00  0.00           H  
HETATM   46  H13 UNL     1       3.089   0.078  -3.053  1.00  0.00           H  
HETATM   47  H14 UNL     1       5.021   1.028  -2.793  1.00  0.00           H  
HETATM   48  H15 UNL     1       2.917   2.177  -2.143  1.00  0.00           H  
HETATM   49  H16 UNL     1       3.436   1.685  -0.458  1.00  0.00           H  
HETATM   50  H17 UNL     1      -4.120   0.776  -1.794  1.00  0.00           H  
HETATM   51  H18 UNL     1      -5.359   2.589  -0.377  1.00  0.00           H  
HETATM   52  H19 UNL     1      -6.208  -0.612  -0.897  1.00  0.00           H  
HETATM   53  H20 UNL     1      -4.192  -1.107  -2.162  1.00  0.00           H  
HETATM   54  H21 UNL     1      -4.043  -1.292   1.161  1.00  0.00           H  
HETATM   55  H22 UNL     1      -6.384  -2.280   0.484  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   14
CONECT    9   10   37
CONECT   10   11   12   12
CONECT   11   38
CONECT   12   13   27
CONECT   13   14   14   15
CONECT   14   39
CONECT   15   16
CONECT   16   17   25   40
CONECT   17   18   18   24
CONECT   18   19   41
CONECT   19   20   20   42
CONECT   20   21   22
CONECT   21   43
CONECT   22   23   24   24
CONECT   23   44
CONECT   24   45
CONECT   25   26   27   46
CONECT   26   47
CONECT   27   48   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

HMDB0041729
     RDKit          3D
(-)-Epicatechin 7-O-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
   -4.6306    0.6225    3.9651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4350    0.2153    3.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5727   -0.4530    3.5257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1718    0.4432    1.6699 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9918    1.1202    1.5112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5462    1.2178    0.1930 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4968    0.3407    0.0443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    0.5748   -0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7271    1.8425   -0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6016    2.1111   -0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0256    3.4090   -1.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5058    1.0519   -0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739   -0.2309   -0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2593   -0.4448   -0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483   -1.3079   -0.8229 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.1054   -1.2295 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2420   -1.1494   -0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0355   -0.5212    1.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9765   -0.5744    2.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -1.2644    1.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1061   -1.3220    2.9763 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3645   -1.8918    0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5596   -2.5978    0.5488 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4282   -1.8355   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4937    0.1439   -2.0251 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8903    0.3475   -2.0688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105    1.3678   -1.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6241    0.8316   -0.7970 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6306    1.7753   -0.9046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1575   -0.5698   -0.5321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4405   -1.5122   -1.2727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0429   -0.9000    0.9399 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0702   -1.7574    1.2751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4396   -0.3659    3.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0584    0.9472    1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3305    2.2814    0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    2.6657   -0.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378    4.1457   -1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5700   -1.4506   -0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5160   -1.9544   -1.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.0142    1.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968   -0.0717    3.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9756   -1.8243    2.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7473   -3.0702   -0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5986   -2.3364   -1.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0894    0.0777   -3.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0211    1.0279   -2.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9165    2.1770   -2.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4358    1.6853   -0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1202    0.7763   -1.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3594    2.5892   -0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2081   -0.6119   -0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1925   -1.1069   -2.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0427   -1.2924    1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3844   -2.2797    0.4841 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
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 16 25  1  0
 25 26  1  0
 25 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
 14  8  1  0
 24 17  1  0
 27 12  1  0
  3 34  1  0
  4 35  1  6
  6 36  1  6
  9 37  1  0
 11 38  1  0
 14 39  1  0
 16 40  1  6
 18 41  1  0
 19 42  1  0
 21 43  1  0
 23 44  1  0
 24 45  1  0
 25 46  1  6
 26 47  1  0
 27 48  1  0
 27 49  1  0
 28 50  1  6
 29 51  1  0
 30 52  1  6
 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 7-O-glucuronide	HMDB
(2S,3S,4S,5R,6S)-6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate	HMDB

Chemical Formula

C₂₁H₂₂O₁₂

Average Molecular Weight

466.3922

Monoisotopic Molecular Weight

466.111126168

IUPAC Name

(2S,3S,4S,5R,6S)-6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6S)-6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C21H22O12/c22-10-2-1-7(3-12(10)24)18-13(25)6-9-11(23)4-8(5-14(9)32-18)31-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,13,15-19,21-28H,6H2,(H,29,30)/t13-,15+,16+,17-,18-,19+,21-/m1/s1

InChI Key

FDWDKTKDGDLDTP-BBGDWMAASA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glucuronides

Alternative Parents

Substituents

Flavonoid-7-o-glucuronide
Flavonoid-7-o-glycoside
Catechin
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavan-3-ol
Hydroxyflavonoid
Flavan
Phenolic glycoside
O-glucuronide
1-o-glucuronide
Glucuronic acid or derivatives
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Chromane
Benzopyran
1-benzopyran
Catechol
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Beta-hydroxy acid
Phenol
Monosaccharide
Monocyclic benzene moiety
Pyran
Hydroxy acid
Oxane
Benzenoid
Secondary alcohol
Carboxylic acid
Carboxylic acid derivative
Acetal
Ether
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Polyol
Organooxygen compound
Alcohol
Carbonyl group
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
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 (HMDB: HMDB0041729)

Organ

Liver (HMDB: HMDB0041729)
Kidney (HMDB: HMDB0041729)

Excreta

Biofluid or Excreta

Urine (PMID: 23637065)

Cellular substructure

Extracellular (HMDB: HMDB0041729)
Cytoplasm (HMDB: HMDB0041729)

Source

Endogenous

Endogenous (HMDB: HMDB0041729)

Plant

Plant (HMDB: HMDB0041729)

Exogenous

Food

Food (HMDB: HMDB0041729)

Cocoa and cocoa product

Cocoa and cocoa products (HMDB: HMDB0041729)

Tea

Tea products (HMDB: HMDB0041729)

Nut

Nuts (HMDB: HMDB0041729)

Beverage

Alcoholic beverage

Red wine (HMDB: HMDB0041729)

Fruit

Berries (HMDB: HMDB0041729)

Pome

Apple (HMDB: HMDB0041729)

Exogenous (HMDB: HMDB0041729)

Process

Not Available

Role

Biological role

Waste product (HMDB: HMDB0041729)

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	2.68 g/L	ALOGPS
logP	0.04	ALOGPS
logP	-0.15	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	2.84	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	43.94 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]+	207.955	31661259
DarkChem	[M-H]-	200.789	31661259
DeepCCS	[M+H]+	193.63	30932474
DeepCCS	[M-H]-	191.786	30932474
DeepCCS	[M-2H]-	225.024	30932474
DeepCCS	[M+Na]+	199.236	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]-	201.9	32859911
AllCCS	[M+Na-2H]-	202.6	32859911
AllCCS	[M+HCOO]-	203.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(-)-Epicatechin 7-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2O	5549.9	Standard polar	33892256
(-)-Epicatechin 7-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2O	4074.9	Standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2O	4381.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(-)-Epicatechin 7-O-glucuronide,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	4200.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TMS,isomer #2	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O)C=C1O	4181.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TMS,isomer #3	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O)=CC=C1O	4149.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O	4199.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@H]1O	4184.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4200.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4159.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TMS,isomer #8	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	4141.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	4074.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=C3C[C@H]2O)C=C1O	4015.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #11	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O	4043.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O	4034.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #13	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4048.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4014.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #15	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O)=CC=C1O	4023.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #16	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=C3C[C@H]2O)=CC=C1O	3995.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #17	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)=CC=C1O	4023.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #18	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=CC=C1O	4019.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4099.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4076.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	4066.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H]1O	4128.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C	4118.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@@H]1O[Si](C)(C)C	4104.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #24	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	4040.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4073.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #26	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	4061.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4099.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	4035.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O	4131.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@H]1O	4106.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4120.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #6	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O	4040.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #7	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	4024.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4038.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TMS,isomer #9	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O)C=C1O	4041.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	3962.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4004.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4038.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #12	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3925.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #13	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3925.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H]1O	4053.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #15	C[Si](C)(C)O[C@@H]1CC2=C(O)C=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)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	4034.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@@H]1O[Si](C)(C)C	4028.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #17	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3892.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #18	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3890.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #19	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3920.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #2	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	4005.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #20	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3920.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #21	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3952.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	3961.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	3944.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3948.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3921.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3959.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #27	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O	3927.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #28	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O	3947.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #29	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O	3949.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #3	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	3975.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #30	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3960.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O	3921.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #32	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O	3922.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3924.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O	3942.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #35	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3956.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #36	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3957.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	3951.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3940.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #39	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3907.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #4	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	4000.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #40	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3950.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #41	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)=CC=C1O	3922.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #42	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)=CC=C1O	3942.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #43	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=CC=C1O	3946.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #44	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)=CC=C1O	3916.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #45	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=CC=C1O	3915.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #46	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=CC=C1O	3942.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #47	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3997.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #48	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4052.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #49	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4028.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3924.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #50	C[Si](C)(C)OC1=CC(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)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	3982.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #51	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	3997.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #52	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C	4039.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #53	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4022.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #54	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	3979.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #55	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3953.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #56	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3991.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #6	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3925.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	3925.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	3919.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4036.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	3878.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #10	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	3922.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #11	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3881.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #12	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3875.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #13	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3885.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #14	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3892.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #15	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3923.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	3874.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3869.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3850.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3865.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	3883.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3868.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3844.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3862.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3984.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4024.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3984.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #26	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3856.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #27	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3872.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #28	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3901.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #29	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3862.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3926.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #30	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3874.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #31	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C	4004.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #32	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3851.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #33	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3855.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #34	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3875.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #35	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3901.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #36	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	3919.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3913.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3899.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #39	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3917.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3881.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #40	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3900.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #41	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3866.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #42	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3894.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3885.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3914.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #45	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3883.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #46	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O	3892.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #47	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O	3901.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #48	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3900.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #49	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O	3910.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3922.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #50	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3917.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #51	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3937.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #52	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O	3898.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #53	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3898.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #54	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3907.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #55	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3933.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #56	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3911.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #57	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3890.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #58	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3912.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #59	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3884.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #6	C[Si](C)(C)OC1=CC(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)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	3928.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #60	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3910.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #61	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3879.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #62	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)=CC=C1O	3896.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #63	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=CC=C1O	3900.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #64	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=CC=C1O	3907.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #65	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=CC=C1O	3897.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #66	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3952.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #67	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3918.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #68	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4029.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #69	C[Si](C)(C)OC1=CC(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[Si](C)(C)C)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	3952.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #7	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	3944.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #70	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3917.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #8	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3889.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,4TMS,isomer #9	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3896.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	3887.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3865.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #11	C[Si](C)(C)OC1=CC(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[Si](C)(C)C)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	3914.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #12	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3869.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #13	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3872.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #14	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3882.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #15	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3884.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #16	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3906.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #17	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3864.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #18	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3866.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #19	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3882.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3875.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #20	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3898.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3895.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3867.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3888.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3872.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3890.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3867.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3875.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3893.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3866.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3859.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3999.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #31	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3873.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #32	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3887.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #33	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3899.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #34	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3885.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #35	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3881.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #36	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3910.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3894.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3908.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #39	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3890.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3875.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #40	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3914.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #41	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3887.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #42	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3897.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3913.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3888.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #45	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3917.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #46	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O	3906.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #47	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3911.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #48	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3913.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #49	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3921.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3877.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #50	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3904.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #51	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3885.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #52	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3908.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #53	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3881.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #54	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[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 7-O-glucuronide,5TMS,isomer #55	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=CC=C1O	3902.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #56	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3931.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3859.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3876.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3869.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3902.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3886.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3889.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #11	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O	3882.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #12	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=CC=C1O	3887.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #13	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3899.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #14	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3901.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #15	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3891.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3896.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3911.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3888.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3904.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3867.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3909.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #21	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3916.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3889.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3900.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3883.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3891.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3933.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #27	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3918.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3888.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3884.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3859.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3875.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3857.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3865.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3881.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,6TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)O3)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3862.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	4440.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O)C=C1O	4438.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O)=CC=C1O	4409.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O	4441.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@H]1O	4428.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4447.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4466.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	4406.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	4495.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O	4505.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O	4532.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O	4543.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4524.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4519.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)=CC=C1O	4497.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)=CC=C1O	4480.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)=CC=C1O	4507.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)=CC=C1O	4509.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4585.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4551.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	4509.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4564.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4544.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@@H]1O[Si](C)(C)C(C)(C)C	4547.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	4490.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4555.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	4517.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4584.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	4530.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O	4543.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@H]1O	4517.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4543.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O	4488.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O	4471.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4545.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O	4523.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	4599.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4595.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4637.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O	4600.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O	4584.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4619.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1CC2=C(O)C=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)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	4597.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@@H]1O[Si](C)(C)C(C)(C)C	4597.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O	4588.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O	4572.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O	4602.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	4573.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O	4585.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4618.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	4690.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4653.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4671.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4649.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4671.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O	4629.5	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O	4649.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O	4676.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC2=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	4550.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4641.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O	4631.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O	4666.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4622.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O	4678.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4643.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4668.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	4661.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4644.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4619.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	4573.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4643.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)=CC=C1O	4609.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)=CC=C1O	4624.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)=CC=C1O	4651.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O)=C3C[C@H]2O)=CC=C1O	4610.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)=CC=C1O	4640.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(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)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)=CC=C1O	4651.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4629.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4686.4	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4632.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O	4641.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(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)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	4580.6	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	4594.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C(C)(C)C	4625.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4631.1	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	4582.7	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4595.0	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4627.9	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O	4621.3	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4623.2	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4606.8	Semi standard non polar	33892256
(-)-Epicatechin 7-O-glucuronide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4638.1	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 7-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	splash10-054k-9108500000-fbd9a0870d216bbeba14	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epicatechin 7-O-glucuronide GC-MS (3 TMS) - 70eV, Positive	splash10-014i-5230219000-5760cc64745cd4114a4a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epicatechin 7-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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 7-O-glucuronide 10V, Positive-QTOF	splash10-00r5-0291600000-124fb4270cedd36d65ab	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 7-O-glucuronide 20V, Positive-QTOF	splash10-00du-0790100000-6bc51b52940b6c969b1a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 7-O-glucuronide 40V, Positive-QTOF	splash10-00di-0910000000-452c86020c69bcddfd22	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 7-O-glucuronide 10V, Negative-QTOF	splash10-01bi-1240900000-f38caaeef7f67a0fc006	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 7-O-glucuronide 20V, Negative-QTOF	splash10-000i-2890400000-4ff1b9f7f66001210383	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 7-O-glucuronide 40V, Negative-QTOF	splash10-0079-3970000000-0cb29ee6613fc0cc989b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 7-O-glucuronide 10V, Negative-QTOF	splash10-014i-0101900000-78969785d47108e520ee	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 7-O-glucuronide 20V, Negative-QTOF	splash10-0170-5894600000-6758d27dc87ac239053a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 7-O-glucuronide 40V, Negative-QTOF	splash10-0c00-6897600000-ae28f4a93685f63337cd	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 7-O-glucuronide 10V, Positive-QTOF	splash10-014l-0060900000-2292734159e96e8fb302	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 7-O-glucuronide 20V, Positive-QTOF	splash10-014m-0967700000-867d76ef22902b5130e5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epicatechin 7-O-glucuronide 40V, Positive-QTOF	splash10-00xr-3913000000-276cbd7a308ae82e1bdf	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	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	Normal	Not Available	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Diabetes mellitus	23637065	details

Associated Disorders and Diseases

Disease References

Diabetes mellitus type 2
Llorach R, Urpi-Sarda M, Tulipani S, Garcia-Aloy M, Monagas M, Andres-Lacueva C: Metabolomic fingerprint in patients at high risk of cardiovascular disease by cocoa intervention. Mol Nutr Food Res. 2013 Jun;57(6):962-73. doi: 10.1002/mnfr.201200736. Epub 2013 May 2. [PubMed:23637065 ]

Associated OMIM IDs

125853 (Diabetes mellitus type 2)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB029895

KNApSAcK ID

Not Available

Chemspider ID

30777622

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

76961592

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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 7-O-glucuronide (HMDB0041729)

MOL for HMDB0041729 ((-)-Epicatechin 7-O-glucuronide)

3D MOL for HMDB0041729 ((-)-Epicatechin 7-O-glucuronide)

3D SDF for HMDB0041729 ((-)-Epicatechin 7-O-glucuronide)

3D-SDF for HMDB0041729 ((-)-Epicatechin 7-O-glucuronide)

PDB for HMDB0041729 ((-)-Epicatechin 7-O-glucuronide)

3D PDB for HMDB0041729 ((-)-Epicatechin 7-O-glucuronide)

SMILES for HMDB0041729 ((-)-Epicatechin 7-O-glucuronide)

INCHI for HMDB0041729 ((-)-Epicatechin 7-O-glucuronide)

Structure for HMDB0041729 ((-)-Epicatechin 7-O-glucuronide)

3D Structure for HMDB0041729 ((-)-Epicatechin 7-O-glucuronide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra