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Showing metabocard for (-)-epicatechin-3'-O-glucuronide (HMDB0029164)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-08 14:58:30 UTC
Update Date2021-09-14 15:44:21 UTC
HMDB IDHMDB0029164
Secondary Accession Numbers
  • HMDB29164
Metabolite Identification
Common Name(-)-epicatechin-3'-O-glucuronide
Description(-)-epicatechin-3'-O-glucuronide belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Based on a literature review very few articles have been published on (-)-epicatechin-3'-O-glucuronide.
Structure
Data?1582753382
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029164 ((-)-epicatechin-3'-O-glucuronide)


  Mrv1652308071918032D          

 32 35  0  0  0  0            999 V2000
   -3.0938   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8082   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8082   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0938   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503   -2.2983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9503   -1.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648   -1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359   -1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786   -1.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9076    0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464    1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7589    1.7162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4734    1.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1878    1.7162    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7753    1.0018    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9784    1.2153    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3916   -0.8898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0938   -3.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359   -2.7108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6003    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9847    1.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6869    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6869    2.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9784    0.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 13 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 24 19  1  1  0  0  0
  2 25  1  0  0  0  0
  4 26  1  0  0  0  0
  8 27  1  1  0  0  0
 23 28  1  0  0  0  0
 22 29  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  1  0  0  0  0
 24 32  1  0  0  0  0
M  END
Download

3D MOL for HMDB0029164 ((-)-epicatechin-3'-O-glucuronide)

HMDB0029164
     RDKit          3D
(-)-epicatechin-3'-O-glucuronide
 56 59  0  0  0  0  0  0  0  0999 V2000
    5.4682    0.7578    2.6407 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6906    1.0465    1.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5976   -0.1310    0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8050    0.2696   -0.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5272   -0.2818   -0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8633    0.2334   -1.5951 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6684    0.8658   -1.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1160    1.1091   -0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    1.7717   -0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0894    1.9730    0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0401    0.7622    1.2778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9378   -0.2641    1.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6648   -1.5538    1.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5420   -2.5967    1.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2328   -3.8741    1.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7155   -2.3248    0.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9860   -1.0485    0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1834   -0.7783   -0.4912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1065    0.0143    0.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4369    1.3576   -0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5017    2.3919    0.4546 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7175    3.6414   -0.1192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7783    2.1803   -1.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848    1.9321   -3.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2293    1.2811   -2.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9613    1.0751   -4.0688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7524   -1.7710   -0.7779 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5464   -1.8253   -1.9172 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370   -2.3668    0.4001 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2412   -3.4224   -0.0871 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2394   -1.4065    1.2177 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5690   -1.2180    2.4282 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4458    0.8800    2.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7083    1.4804    1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2419    1.8499    0.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6463   -0.2097    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046   -0.1503    0.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283    0.7833    0.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389    2.7246    1.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7481   -1.7530    2.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4815   -4.2179    2.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4056   -3.1400    0.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4006    0.1400   -0.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5453    1.3576   -1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4675    1.6022    0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8353    2.5343    1.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7869    4.3703    0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7249    2.6836   -1.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3641    2.2738   -3.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643    0.6027   -4.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7999   -2.2847   -0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5586   -0.9717   -2.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513   -2.8801    1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5479   -3.1919   -0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1893   -1.9515    1.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994   -0.3319    2.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
  9 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
  5 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  3  1  0
 25  7  1  0
 21 10  1  0
 19 12  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  3 36  1  0
  5 37  1  0
  8 38  1  0
 10 39  1  0
 13 40  1  0
 15 41  1  0
 16 42  1  0
 18 43  1  0
 20 44  1  0
 20 45  1  0
 21 46  1  1
 22 47  1  0
 23 48  1  0
 24 49  1  0
 26 50  1  0
 27 51  1  6
 28 52  1  0
 29 53  1  1
 30 54  1  0
 31 55  1  1
 32 56  1  0
M  END
Download

3D SDF for HMDB0029164 ((-)-epicatechin-3'-O-glucuronide)


  Mrv1652308071918032D          

 32 35  0  0  0  0            999 V2000
   -3.0938   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8082   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8082   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0938   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503   -2.2983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9503   -1.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648   -1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359   -1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786   -1.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9076    0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464    1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7589    1.7162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4734    1.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1878    1.7162    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7753    1.0018    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9784    1.2153    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3916   -0.8898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0938   -3.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359   -2.7108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6003    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9847    1.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6869    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6869    2.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9784    0.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 13 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 24 19  1  1  0  0  0
  2 25  1  0  0  0  0
  4 26  1  0  0  0  0
  8 27  1  1  0  0  0
 23 28  1  0  0  0  0
 22 29  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  1  0  0  0  0
 24 32  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029164

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=CC(=CC=C2O)C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16?,17+,18-,19-,20?,21?/m0/s1

> <INCHI_KEY>
ZZTOVZGFHZQEAT-JUZNXHDUSA-N

> <FORMULA>
C21H24O11

> <MOLECULAR_WEIGHT>
452.4087

> <EXACT_MASS>
452.13186161

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
43.52261882040941

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S)-2-(4-hydroxy-3-{[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <ALOGPS_LOGP>
-0.56

> <JCHEM_LOGP>
-0.47296107800000037

> <ALOGPS_LOGS>
-2.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.883069735918415

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.26235890283363

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923549076875

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
106.14409999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.17e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S)-2-(4-hydroxy-3-{[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0029164 ((-)-epicatechin-3'-O-glucuronide)

HMDB0029164
     RDKit          3D
(-)-epicatechin-3'-O-glucuronide
 56 59  0  0  0  0  0  0  0  0999 V2000
    5.4682    0.7578    2.6407 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6906    1.0465    1.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5976   -0.1310    0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8050    0.2696   -0.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5272   -0.2818   -0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8633    0.2334   -1.5951 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6684    0.8658   -1.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1160    1.1091   -0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    1.7717   -0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0894    1.9730    0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0401    0.7622    1.2778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9378   -0.2641    1.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6648   -1.5538    1.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5420   -2.5967    1.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2328   -3.8741    1.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7155   -2.3248    0.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9860   -1.0485    0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1834   -0.7783   -0.4912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1065    0.0143    0.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4369    1.3576   -0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5017    2.3919    0.4546 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7175    3.6414   -0.1192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7783    2.1803   -1.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848    1.9321   -3.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2293    1.2811   -2.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9613    1.0751   -4.0688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7524   -1.7710   -0.7779 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5464   -1.8253   -1.9172 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370   -2.3668    0.4001 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2412   -3.4224   -0.0871 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2394   -1.4065    1.2177 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5690   -1.2180    2.4282 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4458    0.8800    2.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7083    1.4804    1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2419    1.8499    0.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6463   -0.2097    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046   -0.1503    0.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283    0.7833    0.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389    2.7246    1.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7481   -1.7530    2.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4815   -4.2179    2.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4056   -3.1400    0.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4006    0.1400   -0.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5453    1.3576   -1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4675    1.6022    0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8353    2.5343    1.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7869    4.3703    0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7249    2.6836   -1.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3641    2.2738   -3.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643    0.6027   -4.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7999   -2.2847   -0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5586   -0.9717   -2.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513   -2.8801    1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5479   -3.1919   -0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1893   -1.9515    1.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994   -0.3319    2.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
  9 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
  5 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  3  1  0
 25  7  1  0
 21 10  1  0
 19 12  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  3 36  1  0
  5 37  1  0
  8 38  1  0
 10 39  1  0
 13 40  1  0
 15 41  1  0
 16 42  1  0
 18 43  1  0
 20 44  1  0
 20 45  1  0
 21 46  1  1
 22 47  1  0
 23 48  1  0
 24 49  1  0
 26 50  1  0
 27 51  1  6
 28 52  1  0
 29 53  1  1
 30 54  1  0
 31 55  1  1
 32 56  1  0
M  END
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PDB for HMDB0029164 ((-)-epicatechin-3'-O-glucuronide)

HEADER    PROTEIN                                 07-AUG-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-AUG-19         0                                  
HETATM    1  C   UNK     0      -5.775  -1.980   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.109  -2.750   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -7.109  -4.290   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.775  -5.060   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.441  -4.290   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.441  -2.750   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.108  -5.060   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.774  -4.290   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.774  -2.750   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -3.108  -1.980   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.440  -1.980   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.893   0.330   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.440  -0.440   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.893  -2.750   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.227  -1.980   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.227  -0.440   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.561   0.330   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       0.893   1.870   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -0.647   1.870   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.417   3.204   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.750   2.434   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.084   3.204   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.314   1.870   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.826   2.269   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -8.198  -1.661   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -5.775  -6.600   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -0.440  -5.060   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -4.854   1.870   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -5.571   2.805   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -3.149   3.921   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -3.149   5.461   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -1.826   0.729   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   25                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   26                                                  
CONECT    5    4    7    6                                                  
CONECT    6    1    5   10                                                  
CONECT    7    5    8                                                       
CONECT    8    7    9   27                                                  
CONECT    9    8   10   11                                                  
CONECT   10    6    9                                                       
CONECT   11    9   13   14                                                  
CONECT   12   13   16   18                                                  
CONECT   13   11   12                                                       
CONECT   14   11   15                                                       
CONECT   15   14   16                                                       
CONECT   16   12   15   17                                                  
CONECT   17   16                                                            
CONECT   18   12   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   30                                                  
CONECT   22   21   23   29                                                  
CONECT   23   22   24   28                                                  
CONECT   24   23   19   32                                                  
CONECT   25    2                                                            
CONECT   26    4                                                            
CONECT   27    8                                                            
CONECT   28   23                                                            
CONECT   29   22                                                            
CONECT   30   21   31                                                       
CONECT   31   30                                                            
CONECT   32   24                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END
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3D PDB for HMDB0029164 ((-)-epicatechin-3'-O-glucuronide)

COMPND    HMDB0029164
HETATM    1  O1  UNL     1       5.468   0.758   2.641  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.691   1.046   1.543  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.598  -0.131   0.571  1.00  0.00           C  
HETATM    4  O2  UNL     1       3.805   0.270  -0.473  1.00  0.00           O  
HETATM    5  C3  UNL     1       2.527  -0.282  -0.466  1.00  0.00           C  
HETATM    6  O3  UNL     1       1.863   0.233  -1.595  1.00  0.00           O  
HETATM    7  C4  UNL     1       0.668   0.866  -1.661  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.116   1.109  -0.561  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.350   1.772  -0.692  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.089   1.973   0.536  1.00  0.00           C  
HETATM   11  O4  UNL     1      -2.040   0.762   1.278  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.938  -0.264   1.060  1.00  0.00           C  
HETATM   13  C9  UNL     1      -2.665  -1.554   1.510  1.00  0.00           C  
HETATM   14  C10 UNL     1      -3.542  -2.597   1.307  1.00  0.00           C  
HETATM   15  O5  UNL     1      -3.233  -3.874   1.772  1.00  0.00           O  
HETATM   16  C11 UNL     1      -4.716  -2.325   0.636  1.00  0.00           C  
HETATM   17  C12 UNL     1      -4.986  -1.048   0.191  1.00  0.00           C  
HETATM   18  O6  UNL     1      -6.183  -0.778  -0.491  1.00  0.00           O  
HETATM   19  C13 UNL     1      -4.106   0.014   0.391  1.00  0.00           C  
HETATM   20  C14 UNL     1      -4.437   1.358  -0.102  1.00  0.00           C  
HETATM   21  C15 UNL     1      -3.502   2.392   0.455  1.00  0.00           C  
HETATM   22  O7  UNL     1      -3.718   3.641  -0.119  1.00  0.00           O  
HETATM   23  C16 UNL     1      -1.778   2.180  -1.926  1.00  0.00           C  
HETATM   24  C17 UNL     1      -0.985   1.932  -3.025  1.00  0.00           C  
HETATM   25  C18 UNL     1       0.229   1.281  -2.902  1.00  0.00           C  
HETATM   26  O8  UNL     1       0.961   1.075  -4.069  1.00  0.00           O  
HETATM   27  C19 UNL     1       2.752  -1.771  -0.778  1.00  0.00           C  
HETATM   28  O9  UNL     1       3.546  -1.825  -1.917  1.00  0.00           O  
HETATM   29  C20 UNL     1       3.437  -2.367   0.400  1.00  0.00           C  
HETATM   30  O10 UNL     1       4.241  -3.422  -0.087  1.00  0.00           O  
HETATM   31  C21 UNL     1       4.239  -1.407   1.218  1.00  0.00           C  
HETATM   32  O11 UNL     1       3.569  -1.218   2.428  1.00  0.00           O  
HETATM   33  H1  UNL     1       6.446   0.880   2.436  1.00  0.00           H  
HETATM   34  H2  UNL     1       3.708   1.480   1.770  1.00  0.00           H  
HETATM   35  H3  UNL     1       5.242   1.850   0.969  1.00  0.00           H  
HETATM   36  H4  UNL     1       5.646  -0.210   0.151  1.00  0.00           H  
HETATM   37  H5  UNL     1       2.005  -0.150   0.479  1.00  0.00           H  
HETATM   38  H6  UNL     1       0.228   0.783   0.413  1.00  0.00           H  
HETATM   39  H7  UNL     1      -1.539   2.725   1.157  1.00  0.00           H  
HETATM   40  H8  UNL     1      -1.748  -1.753   2.030  1.00  0.00           H  
HETATM   41  H9  UNL     1      -3.482  -4.218   2.685  1.00  0.00           H  
HETATM   42  H10 UNL     1      -5.406  -3.140   0.475  1.00  0.00           H  
HETATM   43  H11 UNL     1      -6.401   0.140  -0.823  1.00  0.00           H  
HETATM   44  H12 UNL     1      -4.545   1.358  -1.188  1.00  0.00           H  
HETATM   45  H13 UNL     1      -5.467   1.602   0.295  1.00  0.00           H  
HETATM   46  H14 UNL     1      -3.835   2.534   1.531  1.00  0.00           H  
HETATM   47  H15 UNL     1      -3.787   4.370   0.518  1.00  0.00           H  
HETATM   48  H16 UNL     1      -2.725   2.684  -1.988  1.00  0.00           H  
HETATM   49  H17 UNL     1      -1.364   2.274  -3.984  1.00  0.00           H  
HETATM   50  H18 UNL     1       1.864   0.603  -4.056  1.00  0.00           H  
HETATM   51  H19 UNL     1       1.800  -2.285  -0.985  1.00  0.00           H  
HETATM   52  H20 UNL     1       3.559  -0.972  -2.404  1.00  0.00           H  
HETATM   53  H21 UNL     1       2.651  -2.880   1.018  1.00  0.00           H  
HETATM   54  H22 UNL     1       4.548  -3.192  -1.000  1.00  0.00           H  
HETATM   55  H23 UNL     1       5.189  -1.951   1.503  1.00  0.00           H  
HETATM   56  H24 UNL     1       3.199  -0.332   2.551  1.00  0.00           H  
CONECT    1    2   33
CONECT    2    3   34   35
CONECT    3    4   31   36
CONECT    4    5
CONECT    5    6   27   37
CONECT    6    7
CONECT    7    8    8   25
CONECT    8    9   38
CONECT    9   10   23   23
CONECT   10   11   21   39
CONECT   11   12
CONECT   12   13   13   19
CONECT   13   14   40
CONECT   14   15   16   16
CONECT   15   41
CONECT   16   17   42
CONECT   17   18   19   19
CONECT   18   43
CONECT   19   20
CONECT   20   21   44   45
CONECT   21   22   46
CONECT   22   47
CONECT   23   24   48
CONECT   24   25   25   49
CONECT   25   26
CONECT   26   50
CONECT   27   28   29   51
CONECT   28   52
CONECT   29   30   31   53
CONECT   30   54
CONECT   31   32   55
CONECT   32   56
END
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SMILES for HMDB0029164 ((-)-epicatechin-3'-O-glucuronide)

OCC1OC(OC2=CC(=CC=C2O)C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
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INCHI for HMDB0029164 ((-)-epicatechin-3'-O-glucuronide)

InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16?,17+,18-,19-,20?,21?/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
SynonymsNot Available
Chemical FormulaC21H24O11
Average Molecular Weight452.4087
Monoisotopic Molecular Weight452.13186161
IUPAC Name(3S)-2-(4-hydroxy-3-{[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Traditional Name(3S)-2-(4-hydroxy-3-{[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
CAS Registry Number603133-91-1
SMILES
OCC1OC(OC2=CC(=CC=C2O)C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16?,17+,18-,19-,20?,21?/m0/s1
InChI KeyZZTOVZGFHZQEAT-JUZNXHDUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid O-glycosides
Alternative Parents
Substituents
  • Flavonoid-3p-o-glycoside
  • Flavonoid o-glycoside
  • Catechin
  • 3-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavan-3-ol
  • Hydroxyflavonoid
  • Flavan
  • Phenolic glycoside
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Chromane
  • Benzopyran
  • 1-benzopyran
  • Phenol ether
  • Phenoxy compound
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • Alkyl aryl ether
  • Monosaccharide
  • Benzenoid
  • Oxane
  • Monocyclic benzene moiety
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Acetal
  • Primary alcohol
  • Alcohol
  • Organic oxygen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.17 g/LALOGPS
logP-0.56ALOGPS
logP-0.47ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)9.26ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area189.53 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity106.14 m³·mol⁻¹ChemAxon
Polarizability43.52 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+205.69831661259
DarkChem[M-H]-204.37731661259
DeepCCS[M+H]+197.63930932474
DeepCCS[M-H]-195.24330932474
DeepCCS[M-2H]-228.44130932474
DeepCCS[M+Na]+204.39830932474
AllCCS[M+H]+205.232859911
AllCCS[M+H-H2O]+202.932859911
AllCCS[M+NH4]+207.332859911
AllCCS[M+Na]+207.932859911
AllCCS[M-H]-200.632859911
AllCCS[M+Na-2H]-201.232859911
AllCCS[M+HCOO]-202.032859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.3.08 minutes32390414
Predicted by Siyang on May 30, 202210.0681 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20225.91 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid240.4 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid958.6 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid196.1 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid89.7 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid165.2 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid59.0 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid306.7 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid308.1 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)804.2 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid579.0 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid196.9 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid914.3 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid182.8 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid215.8 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate559.9 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA524.0 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water322.6 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(-)-epicatechin-3'-O-glucuronideOCC1OC(OC2=CC(=CC=C2O)C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O5134.1Standard polar33892256
(-)-epicatechin-3'-O-glucuronideOCC1OC(OC2=CC(=CC=C2O)C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O4124.5Standard non polar33892256
(-)-epicatechin-3'-O-glucuronideOCC1OC(OC2=CC(=CC=C2O)C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O4430.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(-)-epicatechin-3'-O-glucuronide,1TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O4217.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O4244.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)OC2=C14229.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O)=C1)O24211.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TMS,isomer #5C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O)[C@H](O)[C@@H]2O)=C14243.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TMS,isomer #6C[Si](C)(C)O[C@@H]1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)OC(CO)[C@@H](O)[C@@H]1O4251.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@H](O)C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)OC(CO)[C@H]1O4235.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TMS,isomer #8C[Si](C)(C)O[C@@H]1C(CO)OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@H]1O4227.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O4063.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #10C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O4149.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O4137.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O4129.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C4158.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #14C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C14056.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #15C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O)=C3)OC2=C14056.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #16C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)OC2=C14032.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #17C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)OC2=C14069.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #18C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)OC2=C14068.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #19C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O)=C1)O24095.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O4069.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #20C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O)=C1)O24069.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #21C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O)=C1)O24041.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #22C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O[Si](C)(C)C)=C1)O24088.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #23C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)=C14095.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #24C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)=C14081.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #25C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)=C14117.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #26C[Si](C)(C)O[C@@H]1C(CO)OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@H]1O4136.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #27C[Si](C)(C)O[C@@H]1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)OC(CO)[C@@H](O)[C@@H]1O[Si](C)(C)C4134.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #28C[Si](C)(C)O[C@@H]1C(CO)OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@H]1O[Si](C)(C)C4110.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O4101.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O4123.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4128.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4101.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4106.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)OC2=C14108.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O4116.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O3934.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3915.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3962.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O3990.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3997.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3935.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3975.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4022.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3975.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4000.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4008.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O3924.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4025.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #21C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3993.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #22C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13972.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #23C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O)=C3)OC2=C13970.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #24C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)OC2=C13945.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13981.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #26C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)OC2=C13977.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #27C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O3988.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #28C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O3976.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #29C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O3953.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O3962.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #30C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C3998.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #31C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O4000.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #32C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O3972.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #33C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C4020.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #34C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O4007.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #35C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C4031.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #36C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4031.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #37C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13930.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #38C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13941.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #39C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13931.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3956.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #40C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13955.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #41C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)OC2=C13931.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #42C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13958.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #43C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O)=C3)OC2=C13924.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #44C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13949.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #45C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)OC2=C13883.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #46C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13931.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #47C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O)=C1)O23953.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #48C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O)=C1)O23907.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #49C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O[Si](C)(C)C)=C1)O23971.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3916.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #50C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3O)=C1)O23947.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #51C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O[Si](C)(C)C)=C1)O23971.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #52C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)=C1)O23963.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #53C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)=C13962.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #54C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)=C13991.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #55C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C13985.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #56C[Si](C)(C)O[C@@H]1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)OC(CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4030.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3950.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O3943.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O3965.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3971.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O3852.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3915.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3874.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3908.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3885.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3918.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3876.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O3881.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3866.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3807.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3857.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O3895.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3912.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #21C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3858.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #22C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3901.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #23C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3877.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #24C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3914.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #25C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3871.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #26C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3946.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #27C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3880.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #28C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3929.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #29C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3916.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3893.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #30C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3953.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #31C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3904.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #32C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3947.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #33C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3978.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #34C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3930.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #35C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3977.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #36C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13892.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #37C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13911.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #38C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13890.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #39C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13919.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3860.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #40C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)OC2=C13888.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #41C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13914.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #42C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O)=C3)OC2=C13885.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #43C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13911.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #44C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)OC2=C13854.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #45C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13897.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #46C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O3888.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #47C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O3853.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #48C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C3903.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #49C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O3881.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3886.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #50C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C3908.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #51C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3909.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #52C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O3912.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #53C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C3940.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #54C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3937.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #55C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3975.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #56C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13860.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #57C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13844.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #58C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13869.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #59C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13885.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O3881.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #60C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13905.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #61C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13904.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #62C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13904.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #63C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)OC2=C13840.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #64C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13865.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #65C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13858.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #66C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3O)=C1)O23835.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #67C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O[Si](C)(C)C)=C1)O23860.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #68C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)=C1)O23859.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #69C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)=C1)O23899.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3866.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #70C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C13938.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3821.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,4TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3860.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O3824.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3838.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3866.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3813.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3863.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3835.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3872.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3829.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3874.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3908.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3871.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3819.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3910.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #21C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3848.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #22C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3794.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #23C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3846.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #24C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3820.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #25C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3850.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #26C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3818.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #27C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3852.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #28C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3886.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #29C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3851.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3785.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #30C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3893.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #31C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3870.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #32C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3905.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #33C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3862.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #34C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3901.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #35C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3942.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #36C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13843.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #37C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13814.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #38C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13845.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #39C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13845.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3815.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #40C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13867.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #41C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13864.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #42C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13891.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #43C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)OC2=C13835.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #44C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13861.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #45C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13856.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #46C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O3816.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #47C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C3840.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #48C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3839.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #49C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3868.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3874.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #50C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3898.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #51C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13803.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #52C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13825.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #53C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13821.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #54C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13866.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #55C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13863.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #56C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)=C1)O23836.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3825.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3872.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3840.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,5TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3867.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3816.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3841.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3843.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3869.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3834.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3867.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3906.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3827.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3845.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3822.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3853.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3779.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3887.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #21C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3894.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #22C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13806.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #23C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13812.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #24C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13819.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #25C[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13849.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #26C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)OC2=C13868.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #27C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3841.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #28C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13818.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3813.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3803.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3809.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3797.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3827.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3836.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,6TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3821.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O4453.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O4495.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)OC2=C14455.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O)=C1)O24435.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O)[C@H](O)[C@@H]2O)=C14464.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)OC(CO)[C@@H](O)[C@@H]1O4481.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)OC(CO)[C@H]1O4473.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1C(CO)OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@H]1O4465.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O4508.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O4563.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O4550.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4561.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4571.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14534.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]4O)=C3)OC2=C14517.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]4O)=C3)OC2=C14527.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14535.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)OC2=C14512.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O)=C1)O24501.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O4480.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3O)=C1)O24499.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)=C1)O24501.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)=C1)O24511.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O)=C14498.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C14504.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C14515.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)O[C@@H]1C(CO)OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4540.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)O[C@@H]1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)OC(CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4549.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)O[C@@H]1C(CO)OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4525.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O4489.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O4536.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4526.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4514.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4507.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)OC2=C14582.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O4547.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O4616.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4568.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4569.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O4592.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4568.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4540.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4546.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4636.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4616.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4614.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4603.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O4577.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4623.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4589.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14677.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]4O)=C3)OC2=C14661.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]4O)=C3)OC2=C14673.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14673.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)OC2=C14654.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O4631.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O4626.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4631.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O4642.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4645.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O4612.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1OC1OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4615.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1OC1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4632.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4626.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4643.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1OC1OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4662.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14622.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14637.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14663.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4621.6Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14644.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]4O)=C3)OC2=C14620.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14628.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]4O)=C3)OC2=C14578.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14642.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]4O)=C3)OC2=C14606.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14593.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3O)=C1)O24560.2Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)=C1)O24566.7Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #49CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)=C1)O24579.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4624.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)=C1)O24574.3Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #51CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)=C1)O24590.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #52CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)C(C1=CC=C(O)C(OC3OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)=C1)O24604.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #53CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C14545.1Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #54CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C14564.5Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #55CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)=C14581.8Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #56CC(C)(C)[Si](C)(C)O[C@@H]1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)OC(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4606.4Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4608.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@@H](O)[C@@H](O)[C@@H]1O4548.0Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O4603.9Semi standard non polar33892256
(-)-epicatechin-3'-O-glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4589.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (-)-epicatechin-3'-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-023c-8933800000-191a1f7a78b790f599c02017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-epicatechin-3'-O-glucuronide GC-MS (3 TMS) - 70eV, Positivesplash10-0udi-5510029000-d0fb42f329ea7896e6f22017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (-)-epicatechin-3'-O-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-epicatechin-3'-O-glucuronide 10V, Positive-QTOFsplash10-0fe3-0690700000-9559e7356e11473769582017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-epicatechin-3'-O-glucuronide 20V, Positive-QTOFsplash10-007c-0960100000-0b4a10bd4433d8bccc082017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-epicatechin-3'-O-glucuronide 40V, Positive-QTOFsplash10-00di-0910000000-4bc943b042d9ecedf2db2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-epicatechin-3'-O-glucuronide 10V, Negative-QTOFsplash10-0udr-1350900000-8d07f2c2292c3420e3282017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-epicatechin-3'-O-glucuronide 20V, Negative-QTOFsplash10-000i-1891300000-516466969dbd336438e02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-epicatechin-3'-O-glucuronide 40V, Negative-QTOFsplash10-05dr-2930000000-28b423c099f892758c3b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-epicatechin-3'-O-glucuronide 10V, Negative-QTOFsplash10-0udr-0060900000-dce5bb7207852e6a1d742021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-epicatechin-3'-O-glucuronide 20V, Negative-QTOFsplash10-000i-2392300000-3b77f4ff8b397d779f2b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-epicatechin-3'-O-glucuronide 40V, Negative-QTOFsplash10-0079-1970000000-098fe6647dc5b93af91b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-epicatechin-3'-O-glucuronide 10V, Positive-QTOFsplash10-0udi-0210900000-13fa007c7e572746c9b82021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-epicatechin-3'-O-glucuronide 20V, Positive-QTOFsplash10-0006-1692300000-f138c9f68a422834f1a72021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-epicatechin-3'-O-glucuronide 40V, Positive-QTOFsplash10-052o-8893100000-b632fad80daacd7065a12021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Diabetes mellitus		 details
Associated Disorders and Diseases
Disease References
Diabetes mellitus type 2
  1. 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
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB031388
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131750793
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available