Hmdb loader

Showing metabocard for Epicatechin 3-glucuronide (HMDB0240435)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2019-10-07 18:43:19 UTC
Update Date2022-03-07 03:18:16 UTC
HMDB IDHMDB0240435
Secondary Accession NumbersNone
Metabolite Identification
Common NameEpicatechin 3-glucuronide
DescriptionEpicatechin 3-glucuronide belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position. Based on a literature review very few articles have been published on Epicatechin 3-glucuronide.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0240435 (Epicatechin 3-glucuronide)


  Mrv1652310071920432D          

 40 43  0  0  1  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
 12 10  2  0  0  0  0
 13  5  2  0  0  0  0
 13  9  1  0  0  0  0
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 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  1  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 19 20  1  1  0  0  0
 21 17  1  0  0  0  0
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 24 11  1  0  0  0  0
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 15 26  1  6  0  0  0
 16 27  1  1  0  0  0
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 30 20  1  0  0  0  0
 31 13  1  0  0  0  0
 31 18  1  0  0  0  0
 14 32  1  1  0  0  0
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 33 19  1  0  0  0  0
 33 21  1  0  0  0  0
 14 34  1  6  0  0  0
 15 35  1  1  0  0  0
 16 36  1  6  0  0  0
 17 37  1  6  0  0  0
 18 38  1  6  0  0  0
 19 39  1  1  0  0  0
 21 40  1  1  0  0  0
M  END
Download

3D MOL for HMDB0240435 (Epicatechin 3-glucuronide)

HMDB0240435
     RDKit          3D
Epicatechin 3-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
    3.8845    3.1679   -0.4729 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5225    2.2901    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8824    2.3885    0.2524 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7443    1.1664    0.7971 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4092    1.3041    0.5559 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8513    0.2905   -0.2077 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5488    0.5919   -0.5803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3856   -0.2758   -0.0217 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1052   -1.1026   -1.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9315   -2.1144   -0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416   -3.3264   -0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -3.6644   -2.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9976   -4.2537   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4424   -3.9792    1.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2040   -4.9251    1.8232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1214   -2.7583    1.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3652   -1.8070    0.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749   -0.5780    1.5976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3024    0.4050    0.9456 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1161    1.4873    0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649    1.2229   -0.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0382    2.2027   -0.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6705    3.5406   -0.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4785    4.5211   -1.4124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5233    3.8332   -0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275    5.1651    0.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7660    2.8139    0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551   -0.0444   -1.3672 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1447   -0.7789   -2.3512 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9344   -0.7953   -0.7848 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9745   -0.9258   -1.6944 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3235   -0.1669    0.4998 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0217   -1.0152    1.5862 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5357    2.1305   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8884    1.3414    1.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8224   -0.6029    0.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2056   -1.0118    0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070   -0.5268   -1.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3044   -1.7203   -1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788   -3.0250   -2.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2270   -5.2150   -0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7509   -5.6029    2.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4648   -2.5308    2.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358    0.8280    1.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6042    0.2125   -0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9437    2.0013   -1.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3106    5.4948   -1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6377    5.9191   -0.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8766    3.0868    0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662    0.9200   -1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340   -0.2923   -3.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563   -1.8402   -0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4739   -1.7575   -1.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370   -0.0701    0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7922   -1.6186    1.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
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 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
  6 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32  4  1  0
 19  8  1  0
 27 20  1  0
 17 10  1  0
  3 34  1  0
  4 35  1  1
  6 36  1  1
  8 37  1  1
  9 38  1  0
  9 39  1  0
 12 40  1  0
 13 41  1  0
 15 42  1  0
 16 43  1  0
 19 44  1  1
 21 45  1  0
 22 46  1  0
 24 47  1  0
 26 48  1  0
 27 49  1  0
 28 50  1  6
 29 51  1  0
 30 52  1  1
 31 53  1  0
 32 54  1  6
 33 55  1  0
M  END
Download

3D SDF for HMDB0240435 (Epicatechin 3-glucuronide)


  Mrv1652310071920432D          

 40 43  0  0  1  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
 12 10  2  0  0  0  0
 13  5  2  0  0  0  0
 13  9  1  0  0  0  0
 14  6  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  1  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 19 20  1  1  0  0  0
 21 17  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 15 26  1  6  0  0  0
 16 27  1  1  0  0  0
 17 28  1  1  0  0  0
 29 20  2  0  0  0  0
 30 20  1  0  0  0  0
 31 13  1  0  0  0  0
 31 18  1  0  0  0  0
 14 32  1  1  0  0  0
 21 32  1  6  0  0  0
 33 19  1  0  0  0  0
 33 21  1  0  0  0  0
 14 34  1  6  0  0  0
 15 35  1  1  0  0  0
 16 36  1  6  0  0  0
 17 37  1  6  0  0  0
 18 38  1  6  0  0  0
 19 39  1  1  0  0  0
 21 40  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0240435

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C21H22O12/c22-8-4-11(24)9-6-14(32-21-17(28)15(26)16(27)19(33-21)20(29)30)18(31-13(9)5-8)7-1-2-10(23)12(25)3-7/h1-5,14-19,21-28H,6H2,(H,29,30)/t14-,15+,16+,17-,18-,19+,21-/m1/s1

> <INCHI_KEY>
KZOBTPYFLMPYPM-NRZZOOGVSA-N

> <FORMULA>
C21H22O12

> <MOLECULAR_WEIGHT>
466.395

> <EXACT_MASS>
466.111126148

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
44.22114764136461

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
0.91

> <JCHEM_LOGP>
0.3445459076666665

> <ALOGPS_LOGS>
-2.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.003704770263687

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.959519548538261

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7319808091838143

> <JCHEM_POLAR_SURFACE_AREA>
206.59999999999997

> <JCHEM_REFRACTIVITY>
106.2804

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.95e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0240435 (Epicatechin 3-glucuronide)

HMDB0240435
     RDKit          3D
Epicatechin 3-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
    3.8845    3.1679   -0.4729 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5225    2.2901    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8824    2.3885    0.2524 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7443    1.1664    0.7971 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4092    1.3041    0.5559 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8513    0.2905   -0.2077 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5488    0.5919   -0.5803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3856   -0.2758   -0.0217 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1052   -1.1026   -1.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9315   -2.1144   -0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416   -3.3264   -0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -3.6644   -2.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9976   -4.2537   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4424   -3.9792    1.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2040   -4.9251    1.8232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1214   -2.7583    1.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3652   -1.8070    0.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749   -0.5780    1.5976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3024    0.4050    0.9456 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1161    1.4873    0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649    1.2229   -0.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0382    2.2027   -0.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6705    3.5406   -0.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4785    4.5211   -1.4124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5233    3.8332   -0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275    5.1651    0.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7660    2.8139    0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551   -0.0444   -1.3672 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1447   -0.7789   -2.3512 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9344   -0.7953   -0.7848 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9745   -0.9258   -1.6944 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3235   -0.1669    0.4998 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0217   -1.0152    1.5862 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5357    2.1305   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8884    1.3414    1.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8224   -0.6029    0.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2056   -1.0118    0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070   -0.5268   -1.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3044   -1.7203   -1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788   -3.0250   -2.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2270   -5.2150   -0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7509   -5.6029    2.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4648   -2.5308    2.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358    0.8280    1.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6042    0.2125   -0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9437    2.0013   -1.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3106    5.4948   -1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6377    5.9191   -0.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8766    3.0868    0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662    0.9200   -1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340   -0.2923   -3.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563   -1.8402   -0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4739   -1.7575   -1.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370   -0.0701    0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7922   -1.6186    1.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
  6 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32  4  1  0
 19  8  1  0
 27 20  1  0
 17 10  1  0
  3 34  1  0
  4 35  1  1
  6 36  1  1
  8 37  1  1
  9 38  1  0
  9 39  1  0
 12 40  1  0
 13 41  1  0
 15 42  1  0
 16 43  1  0
 19 44  1  1
 21 45  1  0
 22 46  1  0
 24 47  1  0
 26 48  1  0
 27 49  1  0
 28 50  1  6
 29 51  1  0
 30 52  1  1
 31 53  1  0
 32 54  1  6
 33 55  1  0
M  END
Download

PDB for HMDB0240435 (Epicatechin 3-glucuronide)

HEADER    PROTEIN                                 07-OCT-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-OCT-19         0                                  
HETATM    1  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
HETATM   34  H   UNK     0       8.002  -1.540   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0       9.336   5.390   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0       6.668   5.390   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       9.336   0.770   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0       6.668  -3.850   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0       8.002   3.080   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0       6.668   0.770   0.000  0.00  0.00           H+0
CONECT    1    2    7                                                       
CONECT    2    1   10                                                       
CONECT    3    7   12                                                       
CONECT    4    8   11                                                       
CONECT    5    8   13                                                       
CONECT    6    9   14                                                       
CONECT    7    1    3   18                                                  
CONECT    8    4    5   22                                                  
CONECT    9    6   11   13                                                  
CONECT   10    2   12   23                                                  
CONECT   11    4    9   24                                                  
CONECT   12    3   10   25                                                  
CONECT   13    5    9   31                                                  
CONECT   14    6   18   32   34                                             
CONECT   15   16   17   26   35                                             
CONECT   16   15   19   27   36                                             
CONECT   17   15   21   28   37                                             
CONECT   18    7   14   31   38                                             
CONECT   19   16   20   33   39                                             
CONECT   20   19   29   30                                                  
CONECT   21   17   32   33   40                                             
CONECT   22    8                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   12                                                            
CONECT   26   15                                                            
CONECT   27   16                                                            
CONECT   28   17                                                            
CONECT   29   20                                                            
CONECT   30   20                                                            
CONECT   31   13   18                                                       
CONECT   32   14   21                                                       
CONECT   33   19   21                                                       
CONECT   34   14                                                            
CONECT   35   15                                                            
CONECT   36   16                                                            
CONECT   37   17                                                            
CONECT   38   18                                                            
CONECT   39   19                                                            
CONECT   40   21                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END
Download

3D PDB for HMDB0240435 (Epicatechin 3-glucuronide)

COMPND    HMDB0240435
HETATM    1  O1  UNL     1       3.885   3.168  -0.473  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.523   2.290   0.163  1.00  0.00           C  
HETATM    3  O2  UNL     1       5.882   2.388   0.252  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.744   1.166   0.797  1.00  0.00           C  
HETATM    5  O3  UNL     1       2.409   1.304   0.556  1.00  0.00           O  
HETATM    6  C3  UNL     1       1.851   0.291  -0.208  1.00  0.00           C  
HETATM    7  O4  UNL     1       0.549   0.592  -0.580  1.00  0.00           O  
HETATM    8  C4  UNL     1      -0.386  -0.276  -0.022  1.00  0.00           C  
HETATM    9  C5  UNL     1      -1.105  -1.103  -1.057  1.00  0.00           C  
HETATM   10  C6  UNL     1      -1.931  -2.114  -0.293  1.00  0.00           C  
HETATM   11  C7  UNL     1      -2.242  -3.326  -0.856  1.00  0.00           C  
HETATM   12  O5  UNL     1      -1.810  -3.664  -2.158  1.00  0.00           O  
HETATM   13  C8  UNL     1      -2.998  -4.254  -0.144  1.00  0.00           C  
HETATM   14  C9  UNL     1      -3.442  -3.979   1.118  1.00  0.00           C  
HETATM   15  O6  UNL     1      -4.204  -4.925   1.823  1.00  0.00           O  
HETATM   16  C10 UNL     1      -3.121  -2.758   1.665  1.00  0.00           C  
HETATM   17  C11 UNL     1      -2.365  -1.807   0.977  1.00  0.00           C  
HETATM   18  O7  UNL     1      -2.075  -0.578   1.598  1.00  0.00           O  
HETATM   19  C12 UNL     1      -1.302   0.405   0.946  1.00  0.00           C  
HETATM   20  C13 UNL     1      -2.116   1.487   0.341  1.00  0.00           C  
HETATM   21  C14 UNL     1      -3.265   1.223  -0.362  1.00  0.00           C  
HETATM   22  C15 UNL     1      -4.038   2.203  -0.935  1.00  0.00           C  
HETATM   23  C16 UNL     1      -3.671   3.541  -0.818  1.00  0.00           C  
HETATM   24  O8  UNL     1      -4.478   4.521  -1.412  1.00  0.00           O  
HETATM   25  C17 UNL     1      -2.523   3.833  -0.117  1.00  0.00           C  
HETATM   26  O9  UNL     1      -2.127   5.165   0.019  1.00  0.00           O  
HETATM   27  C18 UNL     1      -1.766   2.814   0.449  1.00  0.00           C  
HETATM   28  C19 UNL     1       2.755  -0.044  -1.367  1.00  0.00           C  
HETATM   29  O10 UNL     1       2.145  -0.779  -2.351  1.00  0.00           O  
HETATM   30  C20 UNL     1       3.934  -0.795  -0.785  1.00  0.00           C  
HETATM   31  O11 UNL     1       4.975  -0.926  -1.694  1.00  0.00           O  
HETATM   32  C21 UNL     1       4.323  -0.167   0.500  1.00  0.00           C  
HETATM   33  O12 UNL     1       4.022  -1.015   1.586  1.00  0.00           O  
HETATM   34  H1  UNL     1       6.536   2.131  -0.474  1.00  0.00           H  
HETATM   35  H2  UNL     1       3.888   1.341   1.907  1.00  0.00           H  
HETATM   36  H3  UNL     1       1.822  -0.603   0.460  1.00  0.00           H  
HETATM   37  H4  UNL     1       0.206  -1.012   0.599  1.00  0.00           H  
HETATM   38  H5  UNL     1      -1.707  -0.527  -1.758  1.00  0.00           H  
HETATM   39  H6  UNL     1      -0.304  -1.720  -1.559  1.00  0.00           H  
HETATM   40  H7  UNL     1      -1.279  -3.025  -2.694  1.00  0.00           H  
HETATM   41  H8  UNL     1      -3.227  -5.215  -0.627  1.00  0.00           H  
HETATM   42  H9  UNL     1      -3.751  -5.603   2.406  1.00  0.00           H  
HETATM   43  H10 UNL     1      -3.465  -2.531   2.654  1.00  0.00           H  
HETATM   44  H11 UNL     1      -0.636   0.828   1.752  1.00  0.00           H  
HETATM   45  H12 UNL     1      -3.604   0.212  -0.488  1.00  0.00           H  
HETATM   46  H13 UNL     1      -4.944   2.001  -1.491  1.00  0.00           H  
HETATM   47  H14 UNL     1      -4.311   5.495  -1.390  1.00  0.00           H  
HETATM   48  H15 UNL     1      -2.638   5.919  -0.368  1.00  0.00           H  
HETATM   49  H16 UNL     1      -0.877   3.087   0.988  1.00  0.00           H  
HETATM   50  H17 UNL     1       3.066   0.920  -1.825  1.00  0.00           H  
HETATM   51  H18 UNL     1       1.934  -0.292  -3.171  1.00  0.00           H  
HETATM   52  H19 UNL     1       3.556  -1.840  -0.581  1.00  0.00           H  
HETATM   53  H20 UNL     1       5.474  -1.757  -1.446  1.00  0.00           H  
HETATM   54  H21 UNL     1       5.437  -0.070   0.515  1.00  0.00           H  
HETATM   55  H22 UNL     1       4.792  -1.619   1.774  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   34
CONECT    4    5   32   35
CONECT    5    6
CONECT    6    7   28   36
CONECT    7    8
CONECT    8    9   19   37
CONECT    9   10   38   39
CONECT   10   11   11   17
CONECT   11   12   13
CONECT   12   40
CONECT   13   14   14   41
CONECT   14   15   16
CONECT   15   42
CONECT   16   17   17   43
CONECT   17   18
CONECT   18   19
CONECT   19   20   44
CONECT   20   21   21   27
CONECT   21   22   45
CONECT   22   23   23   46
CONECT   23   24   25
CONECT   24   47
CONECT   25   26   27   27
CONECT   26   48
CONECT   27   49
CONECT   28   29   30   50
CONECT   29   51
CONECT   30   31   32   52
CONECT   31   53
CONECT   32   33   54
CONECT   33   55
END
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SMILES for HMDB0240435 (Epicatechin 3-glucuronide)

[H][C@]1(CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(O)C=C1)O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
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INCHI for HMDB0240435 (Epicatechin 3-glucuronide)

InChI=1S/C21H22O12/c22-8-4-11(24)9-6-14(32-21-17(28)15(26)16(27)19(33-21)20(29)30)18(31-13(9)5-8)7-1-2-10(23)12(25)3-7/h1-5,14-19,21-28H,6H2,(H,29,30)/t14-,15+,16+,17-,18-,19+,21-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(-)-Epicatechin 3-O-beta-D-glucuronopyranosideHMDB
(-)-Epicatechin 3-O-glucuronideHMDB
(-)-Epicatechin 3-O-β-D-glucuronopyranosideHMDB
(-)-Epicatechin 3-glucuronideHMDB
(-)-Epicatechin glucuronideHMDB
(-)-Epicatechin monoglucuronideHMDB
Epicatechin 3-O-beta-D-glucuronopyranosideHMDB
Epicatechin 3-O-glucuronideHMDB
Epicatechin 3-O-β-D-glucuronopyranosideHMDB
Epicatechin glucuronideHMDB
Epicatechin monoglucuronideHMDB
(2S,3S,4S,5R,6R)-6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateHMDB
Epicatechin 3-glucuronideHMDB
Chemical FormulaC21H22O12
Average Molecular Weight466.395
Monoisotopic Molecular Weight466.111126148
IUPAC Name(2S,3S,4S,5R,6R)-6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6R)-6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry Number1146961-52-5
SMILES
[H][C@]1(CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(O)C=C1)O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
InChI Identifier
InChI=1S/C21H22O12/c22-8-4-11(24)9-6-14(32-21-17(28)15(26)16(27)19(33-21)20(29)30)18(31-13(9)5-8)7-1-2-10(23)12(25)3-7/h1-5,14-19,21-28H,6H2,(H,29,30)/t14-,15+,16+,17-,18-,19+,21-/m1/s1
InChI KeyKZOBTPYFLMPYPM-NRZZOOGVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glucuronides
Alternative Parents
Substituents
  • Flavonoid-3-o-glucuronide
  • Flavonoid-3-o-glycoside
  • Catechin
  • Flavan-3-ol
  • 3'-hydroxyflavonoid
  • Hydroxyflavonoid
  • 7-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • Flavan
  • O-glucuronide
  • 1-o-glucuronide
  • Glucuronic acid or derivatives
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • 1-benzopyran
  • Benzopyran
  • Chromane
  • Catechol
  • Phenol
  • Beta-hydroxy acid
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Oxane
  • Monosaccharide
  • Hydroxy acid
  • Secondary alcohol
  • Polyol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Acetal
  • Monocarboxylic acid or derivatives
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Organooxygen compound
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
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
logP0.91ALOGPS
logP0.34ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)2.96ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area206.6 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity106.28 m³·mol⁻¹ChemAxon
Polarizability44.22 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+187.10930932474
DeepCCS[M-H]-185.2830932474
DeepCCS[M-2H]-218.91630932474
DeepCCS[M+Na]+192.84930932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Epicatechin 3-glucuronide[H][C@]1(CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(O)C=C1)O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O5755.7Standard polar33892256
Epicatechin 3-glucuronide[H][C@]1(CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(O)C=C1)O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O4057.1Standard non polar33892256
Epicatechin 3-glucuronide[H][C@]1(CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(O)C=C1)O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O4413.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Epicatechin 3-glucuronide,1TMS,isomer #1C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C1=CC=C(O)C(O)=C1)O24129.0Semi standard non polar33892256
Epicatechin 3-glucuronide,1TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C14155.4Semi standard non polar33892256
Epicatechin 3-glucuronide,1TMS,isomer #3C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O4123.6Semi standard non polar33892256
Epicatechin 3-glucuronide,1TMS,isomer #4C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4149.4Semi standard non polar33892256
Epicatechin 3-glucuronide,1TMS,isomer #5C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O4136.6Semi standard non polar33892256
Epicatechin 3-glucuronide,1TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O4177.1Semi standard non polar33892256
Epicatechin 3-glucuronide,1TMS,isomer #7C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@@H]1O4170.6Semi standard non polar33892256
Epicatechin 3-glucuronide,1TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C14184.3Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C14025.3Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #10C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O4040.0Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #11C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C14087.2Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #12C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C14055.9Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #13C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C14072.9Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #14C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O4019.8Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #15C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O4052.1Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #16C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O4018.2Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #17C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O4044.6Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #18C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C4052.7Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #19C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O4040.2Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O4017.9Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #20C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O4070.7Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #21C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O4040.9Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #22C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O4064.1Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #23C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4084.5Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #24C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4076.0Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #25C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4093.2Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #26C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H]1O4119.1Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #27C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O[Si](C)(C)C4110.0Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #28C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@@H]1O[Si](C)(C)C4098.5Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #3C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[C@@H](C1=CC=C(O)C(O)=C1)O24081.5Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[C@@H](C1=CC=C(O)C(O)=C1)O24052.7Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #5C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O24069.5Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #6C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4008.9Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #7C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O3995.6Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14011.6Semi standard non polar33892256
Epicatechin 3-glucuronide,2TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C13994.2Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O3914.2Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3947.5Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #11C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3987.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #12C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[C@@H](C1=CC=C(O)C(O)=C1)O23990.0Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #13C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O24004.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #14C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O3917.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #15C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O3920.7Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #16C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O23974.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #17C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3880.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #18C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O3879.2Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #19C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3907.2Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C13965.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #20C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O3909.8Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #21C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3929.6Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #22C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13923.5Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #23C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O3893.0Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #24C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C13914.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C13882.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #26C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C13900.8Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #27C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O3888.8Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #28C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C13913.0Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #29C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C13878.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #3C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C13927.6Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #30C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C13902.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #31C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3986.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #32C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3962.5Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #33C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3998.6Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #34C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C13995.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #35C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C14011.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #36C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C13983.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #37C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O3931.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #38C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3931.3Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #39C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3900.0Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #4C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C13950.2Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #40C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3944.7Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #41C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O3941.3Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #42C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O3958.5Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #43C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3979.3Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #44C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC=C1O3928.6Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #45C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3939.5Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #46C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3967.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #47C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3938.6Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #48C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3912.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #49C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3951.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #5C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13898.2Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #50C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3942.3Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #51C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3960.8Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #52C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3930.3Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #53C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4007.2Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #54C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4054.5Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #55C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4023.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #56C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@@H]1O[Si](C)(C)C4023.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #6C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13892.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O3883.5Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O3878.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TMS,isomer #9C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3973.4Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O3854.2Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #10C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C13869.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #11C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13847.3Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #12C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13838.7Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #13C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13863.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #14C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13860.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #15C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13888.9Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #16C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O3852.1Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #17C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3821.3Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #18C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3801.7Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #19C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3836.9Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O3850.0Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #20C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3821.4Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #21C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3794.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #22C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3835.5Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #23C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3907.0Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #24C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3952.9Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #25C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3922.4Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #26C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O23945.4Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #27C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3843.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #28C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O3846.7Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #29C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3852.1Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3864.4Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #30C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O3852.4Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #31C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3896.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #32C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3827.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #33C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC=C1O3830.2Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #34C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3857.2Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #35C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3878.9Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #36C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O3856.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #37C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13892.2Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #38C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13856.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #39C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13882.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3828.9Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #40C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3842.1Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #41C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3826.1Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #42C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3852.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #43C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C13848.6Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #44C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C13862.5Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #45C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C13838.0Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #46C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3839.7Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #47C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3814.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #48C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3845.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #49C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C13847.5Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #5C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3883.3Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #50C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C13859.3Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #51C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C13836.7Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #52C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3921.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #53C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3964.3Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #54C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3936.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #55C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C13951.2Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #56C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3881.9Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #57C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3849.6Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #58C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3893.7Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #59C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3862.5Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #6C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C13887.6Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #60C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3900.1Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #61C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3874.7Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #62C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC=C1O3898.4Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #63C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3905.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #64C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3916.9Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #65C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3893.6Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #66C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3862.9Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #67C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3901.8Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #68C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3878.0Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #69C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3889.0Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #7C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C13898.0Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #70C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4007.3Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #8C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13874.3Semi standard non polar33892256
Epicatechin 3-glucuronide,4TMS,isomer #9C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13871.1Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O3848.8Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #10C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3817.2Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #11C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C13862.6Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #12C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13838.7Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #13C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13838.1Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #14C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13845.7Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #15C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13843.7Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #16C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13874.4Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #17C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13824.1Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #18C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13822.0Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #19C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13840.8Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3822.9Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #20C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13858.5Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #21C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3847.3Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #22C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3824.0Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #23C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3861.5Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #24C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3814.2Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #25C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3840.3Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #26C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3821.5Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #27C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3809.8Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #28C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3837.7Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #29C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3815.4Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3810.8Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #30C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3919.0Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #31C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3842.8Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #32C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC=C1O3848.6Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #33C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3867.9Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #34C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3869.2Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #35C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3845.2Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #36C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3865.7Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #37C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3837.2Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #38C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3871.4Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #39C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13874.5Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3834.5Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #40C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13880.1Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #41C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13859.9Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #42C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3832.5Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #43C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3853.5Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #44C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3838.5Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #45C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C13853.8Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #46C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3829.0Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #47C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3849.3Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #48C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3833.1Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #49C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C13858.5Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3821.7Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #50C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3932.9Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #51C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3852.3Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #52C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3882.1Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #53C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3860.8Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #54C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3866.8Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #55C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3894.0Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #56C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3867.3Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #6C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3809.2Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3831.4Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3804.3Semi standard non polar33892256
Epicatechin 3-glucuronide,5TMS,isomer #9C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3841.0Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3837.0Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #10C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3822.2Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #11C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C13837.8Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #12C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13838.6Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #13C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13860.8Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #14C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13859.7Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #15C[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13847.0Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #16C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3833.2Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #17C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3852.9Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #18C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3835.0Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #19C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3835.0Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3818.2Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #20C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3832.3Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #21C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3867.4Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #22C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3853.2Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #23C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3869.7Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #24C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3855.4Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C13885.7Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #26C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3848.5Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #27C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3848.5Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #28C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3866.9Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3840.0Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3802.8Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #5C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3815.5Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #6C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3807.5Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3805.1Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3818.1Semi standard non polar33892256
Epicatechin 3-glucuronide,6TMS,isomer #9C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3808.4Semi standard non polar33892256
Epicatechin 3-glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C1=CC=C(O)C(O)=C1)O24387.0Semi standard non polar33892256
Epicatechin 3-glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C14389.0Semi standard non polar33892256
Epicatechin 3-glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O4387.5Semi standard non polar33892256
Epicatechin 3-glucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4408.3Semi standard non polar33892256
Epicatechin 3-glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O4437.6Semi standard non polar33892256
Epicatechin 3-glucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O4420.7Semi standard non polar33892256
Epicatechin 3-glucuronide,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@@H]1O4417.3Semi standard non polar33892256
Epicatechin 3-glucuronide,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C14434.5Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14440.9Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O4505.3Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C14488.9Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C14466.6Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C14498.9Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O4481.9Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC=C1O4462.7Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC=C1O4443.3Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O4476.7Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4478.8Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O4498.3Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O4483.6Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O4477.9Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4457.4Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4490.4Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4557.6Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4512.6Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4545.9Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4536.1Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4509.1Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@@H]1O[Si](C)(C)C(C)(C)C4522.0Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[C@@H](C1=CC=C(O)C(O)=C1)O24482.1Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[C@@H](C1=CC=C(O)C(O)=C1)O24464.6Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O24497.9Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4447.1Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O4429.2Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14465.8Semi standard non polar33892256
Epicatechin 3-glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14448.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O4546.2Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4535.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4583.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[C@@H](C1=CC=C(O)C(O)=C1)O24542.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O24567.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O4542.0Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC=C1O4529.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O24545.0Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4525.5Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC=C1O4512.0Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4560.5Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14537.6Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O4548.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4559.6Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14588.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O4593.0Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14576.7Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14568.7Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14594.2Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O4577.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14562.3Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14551.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14514.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14580.3Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4602.3Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4556.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4598.8Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C14559.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C14582.3Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C14559.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O4583.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4573.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4523.0Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14543.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4561.0Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC=C1O4529.6Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O4558.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4567.7Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O4536.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4543.0Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4584.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4585.6Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4539.0Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #49CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4574.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14604.3Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4541.8Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #51CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4571.8Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #52CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4547.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4603.8Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #54CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4658.1Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #55CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4605.6Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #56CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O[C@@H](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@@H]1O[Si](C)(C)C(C)(C)C4608.9Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14586.2Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O4552.5Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O4537.4Semi standard non polar33892256
Epicatechin 3-glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4582.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Epicatechin 3-glucuronide GC-MS (TMS_3_44) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epicatechin 3-glucuronide GC-MS (TMS_4_33) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epicatechin 3-glucuronide GC-MS (TMS_4_62) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epicatechin 3-glucuronide GC-MS (TMS_5_32) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epicatechin 3-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epicatechin 3-glucuronide GC-MS ("Epicatechin 3-glucuronide,3TMS,#44" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epicatechin 3-glucuronide 10V, Positive-QTOFsplash10-014l-0071900000-09546806074d56d52e7a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epicatechin 3-glucuronide 20V, Positive-QTOFsplash10-00kf-0943300000-39dc29924b794cddea882021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epicatechin 3-glucuronide 40V, Positive-QTOFsplash10-0fkc-0985000000-1f6acd431e6e0f2cb98b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epicatechin 3-glucuronide 10V, Negative-QTOFsplash10-014r-0040900000-185584504783695bbb8c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epicatechin 3-glucuronide 20V, Negative-QTOFsplash10-00g1-6971500000-5301cd9ae404b468ea122021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epicatechin 3-glucuronide 40V, Negative-QTOFsplash10-05br-2953000000-aead89051cb585d70f3f2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB093584
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound101449863
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