Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 03:35:39 UTC

Update Date

2022-03-07 02:57:07 UTC

HMDB ID

HMDB0041675

Secondary Accession Numbers

HMDB41675

Metabolite Identification

Common Name

4'-Methyl-(-)-epigallocatechin 3'-glucuronide

Description

4'-Methyl-(-)-epigallocatechin 3'-glucuronide belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Based on a literature review very few articles have been published on 4'-Methyl-(-)-epigallocatechin 3'-glucuronide.

Structure

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

  Mrv0541 02271201272D          

 35 38  0  0  1  0            999 V2000
   -2.1014   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8159   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5303   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5303    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8159   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1014    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3869   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3869    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3869    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0420    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7565    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7565    3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4710    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420    3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0420    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3869    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1014    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9593    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6737   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3882    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6737   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9593   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9593   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7565    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  6  0  0  0
 18 25  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 14 28  2  0  0  0  0
  8 28  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
  4 33  1  0  0  0  0
 33 34  1  0  0  0  0
 13 35  1  0  0  0  0
M  END

HMDB0041675
     RDKit          3D
4'-Methyl-(-)-epigallocatechin 3'-glucuronide
 59 62  0  0  0  0  0  0  0  0999 V2000
   -2.7890   -1.4704   -2.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2322   -0.1580   -2.5567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9423   -0.1243   -1.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1141   -0.2226   -2.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534   -0.3410   -4.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990   -0.1982   -2.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6646   -0.0807   -1.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0866   -0.0655   -0.6332 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3287    0.9617    0.3291 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6363    1.0578    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1438    2.2396    1.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4390    2.3424    1.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9317    3.5213    2.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    1.2457    1.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8071    0.0394    1.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6769   -1.0428    1.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4898   -0.0227    0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0130   -1.3234    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103   -1.3494    0.0217 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9295   -1.4281    1.2993 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150    0.0131   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234   -0.0051   -0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981    0.0961    0.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0605    0.1634    0.2551 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4963    1.2558    1.0196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8180    1.5635    0.7822 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3795    2.2568    1.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6808    2.4851    3.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6995    2.6856    2.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6542    0.4331    0.3103 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8624    0.5112   -1.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1919   -0.9205    0.7120 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9477   -1.4070    1.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -1.0426    0.9550 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1741   -2.2333    0.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7388   -1.7390   -3.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8551   -1.3941   -2.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3084   -2.1965   -2.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6439   -0.4090   -4.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2090   -0.2762   -3.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7624    0.1177   -1.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4528    3.0869    1.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3679    4.1741    1.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042    1.2817    2.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3504   -1.9189    0.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4570   -1.4520   -0.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3439   -2.1264    0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2003   -2.1757   -0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789   -2.0858    1.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8275    0.1065    0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5729    0.2423   -0.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8180    2.3505   -0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4763    2.0255    2.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6872    0.5748    0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0839   -0.4334   -1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4406   -1.6235   -0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7232   -1.9453    1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5269   -0.9484    2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6912   -2.6716   -0.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
  7 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 26 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 22  3  1  0
 34 24  1  0
 19  8  1  0
 17 10  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  5 39  1  0
  6 40  1  0
  8 41  1  6
 11 42  1  0
 13 43  1  0
 14 44  1  0
 16 45  1  0
 18 46  1  0
 18 47  1  0
 19 48  1  6
 20 49  1  0
 21 50  1  0
 24 51  1  6
 26 52  1  6
 29 53  1  0
 30 54  1  1
 31 55  1  0
 32 56  1  6
 33 57  1  0
 34 58  1  1
 35 59  1  0
M  END

  Mrv0541 02271201272D          

 35 38  0  0  1  0            999 V2000
   -2.1014   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8159   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5303   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5303    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8159   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1014    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3869   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3869    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3869    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0420    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7565    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7565    3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4710    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420    3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0420    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3869    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1014    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9593    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6737   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3882    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6737   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9593   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9593   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7565    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  6  0  0  0
 18 25  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 14 28  2  0  0  0  0
  8 28  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
  4 33  1  0  0  0  0
 33 34  1  0  0  0  0
 13 35  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041675

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=C(C=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C22H24O13/c1-32-19-11(25)2-7(18-12(26)6-9-10(24)4-8(23)5-13(9)33-18)3-14(19)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-5,12,15-18,20,22-29H,6H2,1H3,(H,30,31)/t12-,15+,16+,17-,18-,20+,22-/m1/s1

> <INCHI_KEY>
DAQFRQALPPBZDR-QVHNSLLPSA-N

> <FORMULA>
C22H24O13

> <MOLECULAR_WEIGHT>
496.4182

> <EXACT_MASS>
496.121690854

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
47.3200564824227

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.32

> <JCHEM_LOGP>
-0.31035780566666654

> <ALOGPS_LOGS>
-2.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.26582369622198

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.937938510137721

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6868279857849124

> <JCHEM_POLAR_SURFACE_AREA>
215.82999999999998

> <JCHEM_REFRACTIVITY>
112.47470000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.73e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041675
     RDKit          3D
4'-Methyl-(-)-epigallocatechin 3'-glucuronide
 59 62  0  0  0  0  0  0  0  0999 V2000
   -2.7890   -1.4704   -2.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2322   -0.1580   -2.5567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9423   -0.1243   -1.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1141   -0.2226   -2.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534   -0.3410   -4.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990   -0.1982   -2.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6646   -0.0807   -1.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0866   -0.0655   -0.6332 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3287    0.9617    0.3291 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6363    1.0578    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1438    2.2396    1.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4390    2.3424    1.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9317    3.5213    2.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    1.2457    1.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8071    0.0394    1.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6769   -1.0428    1.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4898   -0.0227    0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0130   -1.3234    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103   -1.3494    0.0217 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9295   -1.4281    1.2993 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150    0.0131   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234   -0.0051   -0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981    0.0961    0.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0605    0.1634    0.2551 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4963    1.2558    1.0196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8180    1.5635    0.7822 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3795    2.2568    1.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6808    2.4851    3.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6995    2.6856    2.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6542    0.4331    0.3103 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8624    0.5112   -1.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1919   -0.9205    0.7120 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9477   -1.4070    1.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -1.0426    0.9550 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1741   -2.2333    0.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7388   -1.7390   -3.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8551   -1.3941   -2.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3084   -2.1965   -2.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6439   -0.4090   -4.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2090   -0.2762   -3.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7624    0.1177   -1.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4528    3.0869    1.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3679    4.1741    1.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042    1.2817    2.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3504   -1.9189    0.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4570   -1.4520   -0.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3439   -2.1264    0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2003   -2.1757   -0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789   -2.0858    1.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8275    0.1065    0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5729    0.2423   -0.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8180    2.3505   -0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4763    2.0255    2.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6872    0.5748    0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0839   -0.4334   -1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4406   -1.6235   -0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7232   -1.9453    1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5269   -0.9484    2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6912   -2.6716   -0.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
  7 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 26 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 22  3  1  0
 34 24  1  0
 19  8  1  0
 17 10  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  5 39  1  0
  6 40  1  0
  8 41  1  6
 11 42  1  0
 13 43  1  0
 14 44  1  0
 16 45  1  0
 18 46  1  0
 18 47  1  0
 19 48  1  6
 20 49  1  0
 21 50  1  0
 24 51  1  6
 26 52  1  6
 29 53  1  0
 30 54  1  1
 31 55  1  0
 32 56  1  6
 33 57  1  0
 34 58  1  1
 35 59  1  0
M  END

HEADER    PROTEIN                                 27-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-FEB-12         0                                  
HETATM    1  O   UNK     0      -3.923  -3.080   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -5.256  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.590  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.924  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.924  -0.770   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -6.590   0.000   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -5.256  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.923   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.589  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.255   0.000   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.078  -0.770   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.255   1.540   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.078   2.310   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -2.589   2.310   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.589   3.850   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -1.255   4.620   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.078   3.850   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.412   4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.412   6.160   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.746   6.930   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.078   6.930   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.078   8.470   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -1.255   6.160   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.589   6.930   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.746   3.850   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       4.079   4.620   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       2.746   2.310   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -3.923   1.540   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -9.257   0.000   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -10.591  -0.770   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0     -11.925   0.000   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0     -10.591  -2.310   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -9.257  -3.080   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -9.257  -4.620   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       1.412   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   33                                                  
CONECT    5    4    6   29                                                  
CONECT    6    5    7                                                       
CONECT    7    6    2    8                                                  
CONECT    8    7    9   28                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12   35                                                       
CONECT   14   12   15   28                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   23                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   25                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   16   24                                                  
CONECT   24   23                                                            
CONECT   25   18   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   14    8                                                       
CONECT   29    5   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32    4   34                                                  
CONECT   34   33                                                            
CONECT   35   13                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

COMPND    HMDB0041675
HETATM    1  C1  UNL     1      -2.789  -1.470  -2.785  1.00  0.00           C  
HETATM    2  O1  UNL     1      -2.232  -0.158  -2.557  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.942  -0.124  -1.990  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.114  -0.223  -2.900  1.00  0.00           C  
HETATM    5  O2  UNL     1      -0.153  -0.341  -4.262  1.00  0.00           O  
HETATM    6  C4  UNL     1       1.399  -0.198  -2.405  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.665  -0.081  -1.053  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.087  -0.065  -0.633  1.00  0.00           C  
HETATM    9  O3  UNL     1       3.329   0.962   0.329  1.00  0.00           O  
HETATM   10  C7  UNL     1       4.636   1.058   0.787  1.00  0.00           C  
HETATM   11  C8  UNL     1       5.144   2.240   1.311  1.00  0.00           C  
HETATM   12  C9  UNL     1       6.439   2.342   1.766  1.00  0.00           C  
HETATM   13  O4  UNL     1       6.932   3.521   2.284  1.00  0.00           O  
HETATM   14  C10 UNL     1       7.267   1.246   1.707  1.00  0.00           C  
HETATM   15  C11 UNL     1       6.807   0.039   1.192  1.00  0.00           C  
HETATM   16  O5  UNL     1       7.677  -1.043   1.150  1.00  0.00           O  
HETATM   17  C12 UNL     1       5.490  -0.023   0.741  1.00  0.00           C  
HETATM   18  C13 UNL     1       5.013  -1.323   0.197  1.00  0.00           C  
HETATM   19  C14 UNL     1       3.510  -1.349   0.022  1.00  0.00           C  
HETATM   20  O6  UNL     1       2.930  -1.428   1.299  1.00  0.00           O  
HETATM   21  C15 UNL     1       0.615   0.013  -0.200  1.00  0.00           C  
HETATM   22  C16 UNL     1      -0.723  -0.005  -0.641  1.00  0.00           C  
HETATM   23  O7  UNL     1      -1.698   0.096   0.287  1.00  0.00           O  
HETATM   24  C17 UNL     1      -3.060   0.163   0.255  1.00  0.00           C  
HETATM   25  O8  UNL     1      -3.496   1.256   1.020  1.00  0.00           O  
HETATM   26  C18 UNL     1      -4.818   1.563   0.782  1.00  0.00           C  
HETATM   27  C19 UNL     1      -5.379   2.257   1.983  1.00  0.00           C  
HETATM   28  O9  UNL     1      -4.681   2.485   3.014  1.00  0.00           O  
HETATM   29  O10 UNL     1      -6.699   2.686   2.027  1.00  0.00           O  
HETATM   30  C20 UNL     1      -5.654   0.433   0.310  1.00  0.00           C  
HETATM   31  O11 UNL     1      -5.862   0.511  -1.086  1.00  0.00           O  
HETATM   32  C21 UNL     1      -5.192  -0.920   0.712  1.00  0.00           C  
HETATM   33  O12 UNL     1      -5.948  -1.407   1.804  1.00  0.00           O  
HETATM   34  C22 UNL     1      -3.725  -1.043   0.955  1.00  0.00           C  
HETATM   35  O13 UNL     1      -3.174  -2.233   0.520  1.00  0.00           O  
HETATM   36  H1  UNL     1      -2.739  -1.739  -3.852  1.00  0.00           H  
HETATM   37  H2  UNL     1      -3.855  -1.394  -2.438  1.00  0.00           H  
HETATM   38  H3  UNL     1      -2.308  -2.196  -2.110  1.00  0.00           H  
HETATM   39  H4  UNL     1       0.644  -0.409  -4.881  1.00  0.00           H  
HETATM   40  H5  UNL     1       2.209  -0.276  -3.133  1.00  0.00           H  
HETATM   41  H6  UNL     1       3.762   0.118  -1.493  1.00  0.00           H  
HETATM   42  H7  UNL     1       4.453   3.087   1.340  1.00  0.00           H  
HETATM   43  H8  UNL     1       7.368   4.174   1.654  1.00  0.00           H  
HETATM   44  H9  UNL     1       8.304   1.282   2.058  1.00  0.00           H  
HETATM   45  H10 UNL     1       7.350  -1.919   0.775  1.00  0.00           H  
HETATM   46  H11 UNL     1       5.457  -1.452  -0.808  1.00  0.00           H  
HETATM   47  H12 UNL     1       5.344  -2.126   0.913  1.00  0.00           H  
HETATM   48  H13 UNL     1       3.200  -2.176  -0.622  1.00  0.00           H  
HETATM   49  H14 UNL     1       2.179  -2.086   1.278  1.00  0.00           H  
HETATM   50  H15 UNL     1       0.827   0.106   0.876  1.00  0.00           H  
HETATM   51  H16 UNL     1      -3.573   0.242  -0.700  1.00  0.00           H  
HETATM   52  H17 UNL     1      -4.818   2.350  -0.029  1.00  0.00           H  
HETATM   53  H18 UNL     1      -7.476   2.025   2.022  1.00  0.00           H  
HETATM   54  H19 UNL     1      -6.687   0.575   0.746  1.00  0.00           H  
HETATM   55  H20 UNL     1      -6.084  -0.433  -1.359  1.00  0.00           H  
HETATM   56  H21 UNL     1      -5.441  -1.624  -0.137  1.00  0.00           H  
HETATM   57  H22 UNL     1      -6.723  -1.945   1.491  1.00  0.00           H  
HETATM   58  H23 UNL     1      -3.527  -0.948   2.049  1.00  0.00           H  
HETATM   59  H24 UNL     1      -3.691  -2.672  -0.205  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3
CONECT    3    4    4   22
CONECT    4    5    6
CONECT    5   39
CONECT    6    7    7   40
CONECT    7    8   21
CONECT    8    9   19   41
CONECT    9   10
CONECT   10   11   11   17
CONECT   11   12   42
CONECT   12   13   14   14
CONECT   13   43
CONECT   14   15   44
CONECT   15   16   17   17
CONECT   16   45
CONECT   17   18
CONECT   18   19   46   47
CONECT   19   20   48
CONECT   20   49
CONECT   21   22   22   50
CONECT   22   23
CONECT   23   24
CONECT   24   25   34   51
CONECT   25   26
CONECT   26   27   30   52
CONECT   27   28   28   29
CONECT   29   53
CONECT   30   31   32   54
CONECT   31   55
CONECT   32   33   34   56
CONECT   33   57
CONECT   34   35   58
CONECT   35   59
END

HMDB0041675
     RDKit          3D
4'-Methyl-(-)-epigallocatechin 3'-glucuronide
 59 62  0  0  0  0  0  0  0  0999 V2000
   -2.7890   -1.4704   -2.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2322   -0.1580   -2.5567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9423   -0.1243   -1.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1141   -0.2226   -2.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534   -0.3410   -4.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990   -0.1982   -2.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6646   -0.0807   -1.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0866   -0.0655   -0.6332 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3287    0.9617    0.3291 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6363    1.0578    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1438    2.2396    1.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4390    2.3424    1.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9317    3.5213    2.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    1.2457    1.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8071    0.0394    1.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6769   -1.0428    1.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4898   -0.0227    0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0130   -1.3234    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103   -1.3494    0.0217 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9295   -1.4281    1.2993 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150    0.0131   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234   -0.0051   -0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981    0.0961    0.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0605    0.1634    0.2551 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4963    1.2558    1.0196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8180    1.5635    0.7822 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3795    2.2568    1.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6808    2.4851    3.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6995    2.6856    2.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6542    0.4331    0.3103 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8624    0.5112   -1.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1919   -0.9205    0.7120 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9477   -1.4070    1.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -1.0426    0.9550 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1741   -2.2333    0.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7388   -1.7390   -3.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8551   -1.3941   -2.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3084   -2.1965   -2.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6439   -0.4090   -4.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2090   -0.2762   -3.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7624    0.1177   -1.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4528    3.0869    1.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3679    4.1741    1.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042    1.2817    2.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3504   -1.9189    0.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4570   -1.4520   -0.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3439   -2.1264    0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2003   -2.1757   -0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789   -2.0858    1.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8275    0.1065    0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5729    0.2423   -0.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8180    2.3505   -0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4763    2.0255    2.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6872    0.5748    0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0839   -0.4334   -1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4406   -1.6235   -0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7232   -1.9453    1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5269   -0.9484    2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6912   -2.6716   -0.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
  7 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 26 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 22  3  1  0
 34 24  1  0
 19  8  1  0
 17 10  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  5 39  1  0
  6 40  1  0
  8 41  1  6
 11 42  1  0
 13 43  1  0
 14 44  1  0
 16 45  1  0
 18 46  1  0
 18 47  1  0
 19 48  1  6
 20 49  1  0
 21 50  1  0
 24 51  1  6
 26 52  1  6
 29 53  1  0
 30 54  1  1
 31 55  1  0
 32 56  1  6
 33 57  1  0
 34 58  1  1
 35 59  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

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

Chemical Formula

C₂₂H₂₄O₁₃

Average Molecular Weight

496.4182

Monoisotopic Molecular Weight

496.121690854

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=C(C=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2

InChI Identifier

InChI=1S/C22H24O13/c1-32-19-11(25)2-7(18-12(26)6-9-10(24)4-8(23)5-13(9)33-18)3-14(19)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-5,12,15-18,20,22-29H,6H2,1H3,(H,30,31)/t12-,15+,16+,17-,18-,20+,22-/m1/s1

InChI Key

DAQFRQALPPBZDR-QVHNSLLPSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid O-glucuronides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0041675)

Organ

Liver (HMDB: HMDB0041675)
Kidney (HMDB: HMDB0041675)

Excreta

Biofluid or Excreta

Urine (PMID: 18433082)

Cellular substructure

Extracellular (HMDB: HMDB0041675)
Cytoplasm (HMDB: HMDB0041675)

Source

Endogenous

Endogenous (HMDB: HMDB0041675)

Plant

Plant (HMDB: HMDB0041675)

Exogenous

Food

Food (HMDB: HMDB0041675)

Exogenous (HMDB: HMDB0041675)

Process

Not Available

Role

Biological role

Waste product (HMDB: HMDB0041675)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.73 g/L	ALOGPS
logP	0.32	ALOGPS
logP	-0.31	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	2.94	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	215.83 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	112.47 m³·mol⁻¹	ChemAxon
Polarizability	47.32 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	213.909	31661259
DarkChem	[M-H]-	204.392	31661259
DeepCCS	[M+H]+	200.249	30932474
DeepCCS	[M-H]-	198.424	30932474
DeepCCS	[M-2H]-	232.082	30932474
DeepCCS	[M+Na]+	205.855	30932474
AllCCS	[M+H]+	212.4	32859911
AllCCS	[M+H-H2O]+	210.4	32859911
AllCCS	[M+NH4]+	214.3	32859911
AllCCS	[M+Na]+	214.8	32859911
AllCCS	[M-H]-	208.9	32859911
AllCCS	[M+Na-2H]-	209.8	32859911
AllCCS	[M+HCOO]-	211.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
4'-Methyl-(-)-epigallocatechin 3'-glucuronide	COC1=C(O)C=C(C=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2	5854.7	Standard polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide	COC1=C(O)C=C(C=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2	4129.2	Standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide	COC1=C(O)C=C(C=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2	4568.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TMS,isomer #1	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4284.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TMS,isomer #2	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4287.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TMS,isomer #3	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4274.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TMS,isomer #4	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4290.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TMS,isomer #5	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4245.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TMS,isomer #6	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4282.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TMS,isomer #7	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4246.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TMS,isomer #8	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4256.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #1	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4149.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #10	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4189.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #11	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4178.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #12	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4172.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #13	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4184.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #14	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4093.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #15	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4096.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #16	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4155.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #17	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4143.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #18	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4168.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #19	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4121.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #2	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4191.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #20	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4126.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #21	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4181.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #22	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4169.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #23	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4118.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #24	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4104.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #25	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4155.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #26	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4128.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #27	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4132.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #28	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4118.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #3	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4166.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #4	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4186.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #5	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4143.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #6	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4147.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #7	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4189.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #8	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4123.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TMS,isomer #9	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4128.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #1	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4082.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #10	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4062.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #11	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4096.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #12	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4074.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #13	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4033.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #14	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4032.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #15	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4062.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #16	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4059.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #17	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4060.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #18	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4093.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #19	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4054.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #2	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4039.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #20	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4056.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #21	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4058.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #22	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4046.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #23	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4025.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #24	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4050.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #25	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4024.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #26	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4049.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #27	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4025.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #28	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4039.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #29	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4014.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #3	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4075.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #30	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4037.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #31	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4071.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #32	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4052.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #33	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4079.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #34	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4064.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #35	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4094.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #36	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4081.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #37	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4017.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #38	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3984.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #39	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4004.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #4	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4036.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #40	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4019.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #41	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3984.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #42	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3987.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #43	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4010.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #44	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4025.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #45	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4046.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #46	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4055.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #47	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4044.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #48	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4020.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #49	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4043.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #5	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4031.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #50	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4022.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #51	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4033.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #52	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4067.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #53	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4046.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #54	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4014.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #55	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4008.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #56	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4019.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #6	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4053.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #7	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4078.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #8	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4099.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TMS,isomer #9	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4066.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #1	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4012.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #10	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3981.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #11	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3975.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #12	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4006.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #13	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3982.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #14	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3940.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #15	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3936.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #16	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4044.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #17	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3998.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #18	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3993.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #19	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4018.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #2	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4041.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #20	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4013.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #21	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4005.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #22	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4033.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #23	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4011.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #24	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3981.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #25	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3981.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #26	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3986.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #27	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3981.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #28	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4005.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #29	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3986.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #3	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3983.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #30	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3953.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #31	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3950.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #32	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4006.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #33	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3974.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #34	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3972.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #35	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3979.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #36	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3963.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #37	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3995.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #38	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3988.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #39	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4000.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #4	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3978.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #40	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3953.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #41	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3948.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #42	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3965.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #43	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3979.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #44	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4004.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #45	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3994.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #46	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3948.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #47	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3946.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #48	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3960.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #49	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3965.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #5	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4007.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #50	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3995.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #51	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3988.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #52	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3998.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #53	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4025.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #54	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4013.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #55	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4038.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #56	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3948.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #57	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3971.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #58	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3978.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #59	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3927.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #6	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4005.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #60	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3935.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #61	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3971.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #62	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3912.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #63	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3931.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #64	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3961.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #65	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3986.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #66	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3954.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #67	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3993.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #68	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3950.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #69	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3942.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #7	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3954.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #70	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3942.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #8	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3942.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,4TMS,isomer #9	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3975.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #1	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	4012.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #10	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3951.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #11	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3971.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #12	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3965.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #13	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3963.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #14	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3947.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #15	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3931.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #16	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3926.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #17	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3971.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #18	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3957.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #19	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3947.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #2	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3973.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #20	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3928.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #21	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3996.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #22	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3985.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #23	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3993.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #24	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3981.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #25	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3965.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #26	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3957.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #27	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3991.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #28	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3974.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #29	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3962.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #3	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3966.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #30	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3959.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #31	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3965.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #32	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3948.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #33	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3938.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #34	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3941.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #35	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3950.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #36	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3938.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #37	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3943.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #38	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3955.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #39	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3961.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #4	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3967.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #40	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3987.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #41	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3982.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #42	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3951.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #43	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3973.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #44	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3958.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #45	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3994.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #46	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3944.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #47	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3969.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #48	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3950.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #49	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3993.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #5	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3998.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #50	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3983.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #51	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3922.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #52	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3931.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #53	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3959.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #54	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3945.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #55	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3938.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #56	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3937.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #6	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3992.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #7	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3997.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #8	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C	3967.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,5TMS,isomer #9	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3958.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TBDMS,isomer #1	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4535.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TBDMS,isomer #2	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4516.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TBDMS,isomer #3	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4502.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TBDMS,isomer #4	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4522.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TBDMS,isomer #5	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4527.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TBDMS,isomer #6	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4508.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TBDMS,isomer #7	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4470.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,1TBDMS,isomer #8	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4496.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #1	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4615.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #10	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4551.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #11	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4593.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #12	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4560.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #13	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4580.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #14	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4551.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #15	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4525.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #16	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4529.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #17	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4565.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #18	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4565.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #19	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4576.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #2	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4605.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #20	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4554.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #21	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4556.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #22	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4591.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #23	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4582.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #24	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4561.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #25	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4570.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #26	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4537.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #27	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4520.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #28	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4574.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #3	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4590.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #4	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4615.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #5	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4609.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #6	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4586.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #7	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4590.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #8	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4565.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,2TBDMS,isomer #9	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4538.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #1	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4677.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #10	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4656.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #11	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4642.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #12	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4653.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #13	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4677.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #14	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4638.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #15	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4619.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #16	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4699.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #17	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4666.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #18	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4650.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #19	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4724.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #2	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4649.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #20	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4676.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #21	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4649.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #22	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4699.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #23	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4626.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #24	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4679.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #25	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4657.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #26	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4676.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #27	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4601.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #28	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4646.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #29	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4618.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #3	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4679.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #30	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4633.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #31	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4625.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #32	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4602.0	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #33	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4627.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #34	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4642.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #35	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4680.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #36	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4654.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #37	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4690.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #38	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4612.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #39	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4660.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #4	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4708.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #40	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4654.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #41	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4582.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #42	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4627.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #43	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4615.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #44	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4587.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #45	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4600.6	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #46	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4637.1	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #47	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4705.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #48	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4632.5	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #49	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4683.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #5	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4681.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #50	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4606.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #51	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4649.9	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #52	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4631.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #53	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4712.8	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #54	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4647.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #55	COC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4623.4	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #56	COC1=C(O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4669.2	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #6	COC1=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4667.7	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #7	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4655.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #8	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4679.3	Semi standard non polar	33892256
4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,isomer #9	COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4690.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	splash10-056u-9006600000-c5e20f482801ebe30e10	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide GC-MS (2 TMS) - 70eV, Positive	splash10-00g0-7121319000-dedb745a473ffb15f490	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide GC-MS (TBDMS_3_49) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide GC-MS ("4'-Methyl-(-)-epigallocatechin 3'-glucuronide,3TBDMS,#49" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 10V, Positive-QTOF	splash10-00fr-0609800000-577595b208c6814a2abe	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 20V, Positive-QTOF	splash10-0fe0-0906100000-afe8db4d01457d7e2fb4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 40V, Positive-QTOF	splash10-00di-0901000000-57d31ad156faa4a8138c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 10V, Negative-QTOF	splash10-00kb-1304900000-064613f35304dc6bcc11	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 20V, Negative-QTOF	splash10-0gb9-1509500000-baf31f92aa0cb7db267d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 40V, Negative-QTOF	splash10-016r-3915000000-0d33870b25ab25e6482e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 10V, Negative-QTOF	splash10-0002-0001900000-2b20865826b76dcefa4e	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 20V, Negative-QTOF	splash10-0gbi-1329300000-d155539b22bb4c1d8041	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 40V, Negative-QTOF	splash10-0gb9-3119100000-b4253d96705ce76c677e	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 10V, Positive-QTOF	splash10-0umi-0109800000-22f3e75de8f2e5c476c3	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 20V, Positive-QTOF	splash10-00di-0309400000-5df83c2372d6aed307b4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 40V, Positive-QTOF	splash10-0ug0-3905100000-30d4a41fd113f686a456	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 788	18433082	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB029835

KNApSAcK ID

Not Available

Chemspider ID

30777594

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

76972097

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for 4'-Methyl-(-)-epigallocatechin 3'-glucuronide (HMDB0041675)

MOL for HMDB0041675 (4'-Methyl-(-)-epigallocatechin 3'-glucuronide)

3D MOL for HMDB0041675 (4'-Methyl-(-)-epigallocatechin 3'-glucuronide)

3D SDF for HMDB0041675 (4'-Methyl-(-)-epigallocatechin 3'-glucuronide)

3D-SDF for HMDB0041675 (4'-Methyl-(-)-epigallocatechin 3'-glucuronide)

PDB for HMDB0041675 (4'-Methyl-(-)-epigallocatechin 3'-glucuronide)

3D PDB for HMDB0041675 (4'-Methyl-(-)-epigallocatechin 3'-glucuronide)

SMILES for HMDB0041675 (4'-Methyl-(-)-epigallocatechin 3'-glucuronide)

INCHI for HMDB0041675 (4'-Methyl-(-)-epigallocatechin 3'-glucuronide)

Structure for HMDB0041675 (4'-Methyl-(-)-epigallocatechin 3'-glucuronide)

3D Structure for HMDB0041675 (4'-Methyl-(-)-epigallocatechin 3'-glucuronide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra