Hmdb loader

Showing metabocard for Catechin 3'-glucuronide (HMDB0127728)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-09-13 16:00:12 UTC
Update Date2021-09-14 15:41:36 UTC
HMDB IDHMDB0127728
Secondary Accession NumbersNone
Metabolite Identification
Common NameCatechin 3'-glucuronide
DescriptionCatechin 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. BioTransformer predicts that catechin 3'-glucuronide is a product of catechin metabolism via an aromatic-OH-glucuronidation and catalyzed by the UDP-glucuronosyltransferase 1-1 (P22309) enzyme (PMID: 30612223 ).
Structure
Data?1570471769
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0127728 (Catechin 3'-glucuronide)


  Mrv1652310151921472D          

 40 43  0  0  1  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.7158    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8592   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  1  1  0  0  0  0
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 19 39  1  1  0  0  0
 21 40  1  1  0  0  0
M  END
Download

3D MOL for HMDB0127728 (Catechin 3'-glucuronide)

HMDB0127728
     RDKit          3D
Catechin 3'-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
    6.1139   -0.9617   -3.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3150    0.0413   -2.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5047    0.7245   -2.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2834    0.4891   -1.4625 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1619   -0.3205   -1.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4848   -0.3103   -0.2569 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2177   -0.7754   -0.3206 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9961   -0.2333   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670   -1.0113   -0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6438   -1.3970   -0.1421 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4694   -1.2595    0.9704 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9443   -0.5238    1.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0219    1.0488   -1.3075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2394   -0.1091   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2929    0.0976   -1.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855   -1.0214   -1.4328 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9346   -2.1285   -1.9863 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5172    1.4997    0.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7895    1.8979    0.6911 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4305    0.5227    0.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2489   -1.8268   -2.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26  8  1  0
 22 11  1  0
 20 13  1  0
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  4 35  1  6
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 27 49  1  0
 28 50  1  6
 29 51  1  0
 30 52  1  1
 31 53  1  0
 32 54  1  6
 33 55  1  0
M  END
Download

3D SDF for HMDB0127728 (Catechin 3'-glucuronide)


  Mrv1652310151921472D          

 40 43  0  0  1  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
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 14  3  1  0  0  0  0
 14 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  1  0  0  0
 18 12  1  0  0  0  0
 19 16  1  0  0  0  0
 19 20  1  1  0  0  0
 21 17  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 12 25  1  6  0  0  0
 15 26  1  6  0  0  0
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 17 28  1  1  0  0  0
 29 20  2  0  0  0  0
 30 20  1  0  0  0  0
 31 13  1  0  0  0  0
 31 18  1  0  0  0  0
 32 14  1  0  0  0  0
 21 32  1  6  0  0  0
 33 19  1  0  0  0  0
 33 21  1  0  0  0  0
 12 34  1  1  0  0  0
 15 35  1  1  0  0  0
 16 36  1  6  0  0  0
 17 37  1  6  0  0  0
 18 38  1  6  0  0  0
 19 39  1  1  0  0  0
 21 40  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0127728

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O[C@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15-,16-,17+,18+,19-,21+/m0/s1

> <INCHI_KEY>
BUONZQIZWIITTB-FSDQAXRCSA-N

> <FORMULA>
C21H22O12

> <MOLECULAR_WEIGHT>
466.395

> <EXACT_MASS>
466.111126148

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
43.68850586845856

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
0.08

> <JCHEM_LOGP>
-0.15268653999999993

> <ALOGPS_LOGS>
-2.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.26241340913678

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0064421603129543

> <JCHEM_PKA_STRONGEST_BASIC>
-3.686827976180033

> <JCHEM_POLAR_SURFACE_AREA>
206.59999999999997

> <JCHEM_REFRACTIVITY>
106.0115

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.89e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0127728 (Catechin 3'-glucuronide)

HMDB0127728
     RDKit          3D
Catechin 3'-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
    6.1139   -0.9617   -3.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3150    0.0413   -2.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5047    0.7245   -2.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2834    0.4891   -1.4625 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1619   -0.3205   -1.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4848   -0.3103   -0.2569 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2177   -0.7754   -0.3206 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9961   -0.2333   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670   -1.0113   -0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4255   -0.5674    0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6438   -1.3970   -0.1421 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4694   -1.2595    0.9704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7697   -0.7941    0.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6483   -0.9913    1.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9443   -0.5238    1.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8292   -0.7262    3.0142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4149    0.1600    0.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5354    0.3636   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0219    1.0488   -1.3075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2394   -0.1091   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2929    0.0976   -1.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855   -1.0214   -1.4328 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9346   -2.1285   -1.9863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6181    0.7084    0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172    1.4997    0.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7600    1.0299    0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895    1.8979    0.6911 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4034   -1.1932    0.6251 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7431   -1.5601    1.7835 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6072   -0.3325    0.8971 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7493   -1.1266    1.1541 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8698    0.7140   -0.1207 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5215    1.9908    0.3784 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7162    1.6016   -2.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9342    1.4932   -1.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5791    0.7253    0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0447   -2.0075   -0.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -2.4623   -0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2709   -1.5322    2.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4906   -1.2196    3.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4305    0.5227    0.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5060    1.2621   -2.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8313    1.1022   -1.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9167    0.0525   -2.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062   -0.6536   -2.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2489   -1.8268   -2.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6004    1.0935    0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6809    2.5032    1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240    2.8258    1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7445   -2.0667    0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2557   -2.4019    1.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4054    0.1748    1.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6527   -1.5875    2.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9933    0.7787   -0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0661    2.2402    1.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 10 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
  6 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32  4  1  0
 26  8  1  0
 22 11  1  0
 20 13  1  0
  3 34  1  0
  4 35  1  6
  6 36  1  1
  9 37  1  0
 11 38  1  6
 14 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 21 43  1  0
 21 44  1  0
 22 45  1  6
 23 46  1  0
 24 47  1  0
 25 48  1  0
 27 49  1  0
 28 50  1  6
 29 51  1  0
 30 52  1  1
 31 53  1  0
 32 54  1  6
 33 55  1  0
M  END
Download

PDB for HMDB0127728 (Catechin 3'-glucuronide)

HEADER    PROTEIN                                 15-OCT-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-OCT-19         0                                  
HETATM    1  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.337   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.337  -0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      14.670   2.310   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      12.003   3.850   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      14.670  -0.770   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       8.002   1.540   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      10.669  -0.000   0.000  0.00  0.00           O+0
HETATM   34  H   UNK     0       8.002  -1.540   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0      13.337   3.080   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0      10.669   3.080   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0      13.337  -1.540   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0       6.668  -3.850   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0      12.003   0.770   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0      10.669  -1.540   0.000  0.00  0.00           H+0
CONECT    1    2    7                                                       
CONECT    2    1   10                                                       
CONECT    3    7   14                                                       
CONECT    4    8   11                                                       
CONECT    5    8   13                                                       
CONECT    6    9   12                                                       
CONECT    7    1    3   18                                                  
CONECT    8    4    5   22                                                  
CONECT    9    6   11   13                                                  
CONECT   10    2   14   23                                                  
CONECT   11    4    9   24                                                  
CONECT   12    6   18   25   34                                             
CONECT   13    5    9   31                                                  
CONECT   14    3   10   32                                                  
CONECT   15   16   17   26   35                                             
CONECT   16   15   19   27   36                                             
CONECT   17   15   21   28   37                                             
CONECT   18    7   12   31   38                                             
CONECT   19   16   20   33   39                                             
CONECT   20   19   29   30                                                  
CONECT   21   17   32   33   40                                             
CONECT   22    8                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   12                                                            
CONECT   26   15                                                            
CONECT   27   16                                                            
CONECT   28   17                                                            
CONECT   29   20                                                            
CONECT   30   20                                                            
CONECT   31   13   18                                                       
CONECT   32   14   21                                                       
CONECT   33   19   21                                                       
CONECT   34   12                                                            
CONECT   35   15                                                            
CONECT   36   16                                                            
CONECT   37   17                                                            
CONECT   38   18                                                            
CONECT   39   19                                                            
CONECT   40   21                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END
Download

3D PDB for HMDB0127728 (Catechin 3'-glucuronide)

COMPND    HMDB0127728
HETATM    1  O1  UNL     1       6.114  -0.962  -3.135  1.00  0.00           O  
HETATM    2  C1  UNL     1       6.315   0.041  -2.423  1.00  0.00           C  
HETATM    3  O2  UNL     1       7.505   0.724  -2.540  1.00  0.00           O  
HETATM    4  C2  UNL     1       5.283   0.489  -1.463  1.00  0.00           C  
HETATM    5  O3  UNL     1       4.162  -0.321  -1.488  1.00  0.00           O  
HETATM    6  C3  UNL     1       3.485  -0.310  -0.257  1.00  0.00           C  
HETATM    7  O4  UNL     1       2.218  -0.775  -0.321  1.00  0.00           O  
HETATM    8  C4  UNL     1       0.996  -0.233  -0.021  1.00  0.00           C  
HETATM    9  C5  UNL     1      -0.167  -1.011  -0.208  1.00  0.00           C  
HETATM   10  C6  UNL     1      -1.426  -0.567   0.059  1.00  0.00           C  
HETATM   11  C7  UNL     1      -2.644  -1.397  -0.142  1.00  0.00           C  
HETATM   12  O5  UNL     1      -3.469  -1.260   0.970  1.00  0.00           O  
HETATM   13  C8  UNL     1      -4.770  -0.794   0.934  1.00  0.00           C  
HETATM   14  C9  UNL     1      -5.648  -0.991   1.988  1.00  0.00           C  
HETATM   15  C10 UNL     1      -6.944  -0.524   1.945  1.00  0.00           C  
HETATM   16  O6  UNL     1      -7.829  -0.726   3.014  1.00  0.00           O  
HETATM   17  C11 UNL     1      -7.415   0.160   0.847  1.00  0.00           C  
HETATM   18  C12 UNL     1      -6.535   0.364  -0.221  1.00  0.00           C  
HETATM   19  O7  UNL     1      -7.022   1.049  -1.308  1.00  0.00           O  
HETATM   20  C13 UNL     1      -5.239  -0.109  -0.168  1.00  0.00           C  
HETATM   21  C14 UNL     1      -4.293   0.098  -1.301  1.00  0.00           C  
HETATM   22  C15 UNL     1      -3.285  -1.021  -1.433  1.00  0.00           C  
HETATM   23  O8  UNL     1      -3.935  -2.129  -1.986  1.00  0.00           O  
HETATM   24  C16 UNL     1      -1.618   0.708   0.541  1.00  0.00           C  
HETATM   25  C17 UNL     1      -0.517   1.500   0.738  1.00  0.00           C  
HETATM   26  C18 UNL     1       0.760   1.030   0.460  1.00  0.00           C  
HETATM   27  O9  UNL     1       1.789   1.898   0.691  1.00  0.00           O  
HETATM   28  C19 UNL     1       4.403  -1.193   0.625  1.00  0.00           C  
HETATM   29  O10 UNL     1       3.743  -1.560   1.783  1.00  0.00           O  
HETATM   30  C20 UNL     1       5.607  -0.332   0.897  1.00  0.00           C  
HETATM   31  O11 UNL     1       6.749  -1.127   1.154  1.00  0.00           O  
HETATM   32  C21 UNL     1       5.870   0.714  -0.121  1.00  0.00           C  
HETATM   33  O12 UNL     1       5.522   1.991   0.378  1.00  0.00           O  
HETATM   34  H1  UNL     1       7.716   1.602  -2.094  1.00  0.00           H  
HETATM   35  H2  UNL     1       4.934   1.493  -1.852  1.00  0.00           H  
HETATM   36  H3  UNL     1       3.579   0.725   0.111  1.00  0.00           H  
HETATM   37  H4  UNL     1      -0.045  -2.008  -0.582  1.00  0.00           H  
HETATM   38  H5  UNL     1      -2.308  -2.462  -0.225  1.00  0.00           H  
HETATM   39  H6  UNL     1      -5.271  -1.532   2.853  1.00  0.00           H  
HETATM   40  H7  UNL     1      -7.491  -1.220   3.807  1.00  0.00           H  
HETATM   41  H8  UNL     1      -8.430   0.523   0.821  1.00  0.00           H  
HETATM   42  H9  UNL     1      -6.506   1.262  -2.121  1.00  0.00           H  
HETATM   43  H10 UNL     1      -3.831   1.102  -1.296  1.00  0.00           H  
HETATM   44  H11 UNL     1      -4.917   0.052  -2.242  1.00  0.00           H  
HETATM   45  H12 UNL     1      -2.506  -0.654  -2.144  1.00  0.00           H  
HETATM   46  H13 UNL     1      -4.249  -1.827  -2.894  1.00  0.00           H  
HETATM   47  H14 UNL     1      -2.600   1.094   0.764  1.00  0.00           H  
HETATM   48  H15 UNL     1      -0.681   2.503   1.118  1.00  0.00           H  
HETATM   49  H16 UNL     1       1.724   2.826   1.036  1.00  0.00           H  
HETATM   50  H17 UNL     1       4.744  -2.067   0.031  1.00  0.00           H  
HETATM   51  H18 UNL     1       3.256  -2.402   1.592  1.00  0.00           H  
HETATM   52  H19 UNL     1       5.405   0.175   1.887  1.00  0.00           H  
HETATM   53  H20 UNL     1       6.653  -1.588   2.029  1.00  0.00           H  
HETATM   54  H21 UNL     1       6.993   0.779  -0.239  1.00  0.00           H  
HETATM   55  H22 UNL     1       6.066   2.240   1.148  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   34
CONECT    4    5   32   35
CONECT    5    6
CONECT    6    7   28   36
CONECT    7    8
CONECT    8    9    9   26
CONECT    9   10   37
CONECT   10   11   24   24
CONECT   11   12   22   38
CONECT   12   13
CONECT   13   14   14   20
CONECT   14   15   39
CONECT   15   16   17   17
CONECT   16   40
CONECT   17   18   41
CONECT   18   19   20   20
CONECT   19   42
CONECT   20   21
CONECT   21   22   43   44
CONECT   22   23   45
CONECT   23   46
CONECT   24   25   47
CONECT   25   26   26   48
CONECT   26   27
CONECT   27   49
CONECT   28   29   30   50
CONECT   29   51
CONECT   30   31   32   52
CONECT   31   53
CONECT   32   33   54
CONECT   33   55
END
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SMILES for HMDB0127728 (Catechin 3'-glucuronide)

[H][C@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O[C@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)=C(O)C=C1
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INCHI for HMDB0127728 (Catechin 3'-glucuronide)

InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15-,16-,17+,18+,19-,21+/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-{2-hydroxy-5-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylateHMDB
(+)-Catechin 3'-O-beta-D-glucuronopyranosideHMDB
(+)-Catechin 3'-O-glucuronideHMDB
(+)-Catechin 3'-O-β-D-glucuronopyranosideHMDB
(+)-Catechin 3'-glucuronideHMDB
(+)-Catechin 3’-O-glucuronideHMDB
(+)-Catechin 3’-O-β-D-glucuronopyranosideHMDB
(+)-Catechin 3’-glucuronideHMDB
(+)-Catechin glucuronideHMDB
(+)-Catechin monoglucuronideHMDB
Catechin 3'-O-beta-D-glucuronopyranosideHMDB
Catechin 3'-O-glucuronideHMDB
Catechin 3'-O-β-D-glucuronopyranosideHMDB
Catechin 3’-O-glucuronideHMDB
Catechin 3’-O-β-D-glucuronopyranosideHMDB
Catechin 3’-glucuronideHMDB
Catechin glucuronideHMDB
Catechin monoglucuronideHMDB
Catechin 3'-glucuronideHMDB
Chemical FormulaC21H22O12
Average Molecular Weight466.395
Monoisotopic Molecular Weight466.111126148
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-5-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-5-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid
CAS Registry Number853728-25-3
SMILES
O[C@H]1CC2=C(O[C@@H]1C1=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(O)C=C1)C=C(O)C=C2O
InChI Identifier
InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15-,16-,17+,18+,19-,21+/m0/s1
InChI KeyBUONZQIZWIITTB-FSDQAXRCSA-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.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid O-glucuronides
Alternative Parents
Substituents
  • Flavonoid-3p-o-glucuronide
  • Catechin
  • Hydroxyflavonoid
  • Flavan-3-ol
  • 7-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • Flavan
  • Phenolic glycoside
  • O-glucuronide
  • 1-o-glucuronide
  • Glucuronic acid or derivatives
  • O-glycosyl compound
  • Glycosyl compound
  • 1-benzopyran
  • Benzopyran
  • Chromane
  • Phenoxy compound
  • Phenol ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Beta-hydroxy acid
  • Alkyl aryl ether
  • Benzenoid
  • Pyran
  • Oxane
  • Monosaccharide
  • Hydroxy acid
  • Monocyclic benzene moiety
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Monocarboxylic acid or derivatives
  • Ether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Acetal
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0.08ALOGPS
logP-0.15ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)3.01ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area206.6 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity106.01 m³·mol⁻¹ChemAxon
Polarizability43.69 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+205.77130932474
DeepCCS[M-H]-203.94730932474
DeepCCS[M-2H]-237.1930932474
DeepCCS[M+Na]+211.37730932474

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.3.21 minutes32390414
Predicted by Siyang on May 30, 202210.7661 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20227.11 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid984.7 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid195.6 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid84.0 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid162.4 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid60.4 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid310.2 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid307.7 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)817.7 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid587.0 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid242.5 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1000.5 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid189.0 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid221.7 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate556.0 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA510.4 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water365.3 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Catechin 3'-glucuronideO[C@H]1CC2=C(O[C@@H]1C1=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(O)C=C1)C=C(O)C=C2O5694.0Standard polar33892256
Catechin 3'-glucuronideO[C@H]1CC2=C(O[C@@H]1C1=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(O)C=C1)C=C(O)C=C2O4007.0Standard non polar33892256
Catechin 3'-glucuronideO[C@H]1CC2=C(O[C@@H]1C1=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(O)C=C1)C=C(O)C=C2O4461.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Catechin 3'-glucuronide,1TMS,isomer #1C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=C14160.3Semi standard non polar33892256
Catechin 3'-glucuronide,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@H]1O4164.9Semi standard non polar33892256
Catechin 3'-glucuronide,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)O[C@H](C(=O)O)[C@H]1O4148.0Semi standard non polar33892256
Catechin 3'-glucuronide,1TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O4171.5Semi standard non polar33892256
Catechin 3'-glucuronide,1TMS,isomer #5C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O4124.7Semi standard non polar33892256
Catechin 3'-glucuronide,1TMS,isomer #6C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4162.3Semi standard non polar33892256
Catechin 3'-glucuronide,1TMS,isomer #7C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C14134.0Semi standard non polar33892256
Catechin 3'-glucuronide,1TMS,isomer #8C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C1)O24122.4Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #1C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C1)O24032.5Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #10C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C1)O24021.8Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #11C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4082.7Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@H]1O4083.8Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@H]1O[Si](C)(C)C4068.6Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #14C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H]1O[Si](C)(C)C4061.0Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #15C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C13984.6Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #16C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C1)O23986.6Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #17C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4054.1Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #18C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4028.6Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #19C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C14013.0Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C14020.1Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #20C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C1)O24015.7Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #21C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4081.1Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #22C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4057.0Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #23C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O4010.3Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #24C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O4004.5Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #25C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O4049.6Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #26C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C14044.2Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #27C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4043.6Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #28C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C14008.8Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #3C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4083.1Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O4046.6Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #5C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C14086.7Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #6C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C14051.8Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #7C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C14076.8Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4063.7Semi standard non polar33892256
Catechin 3'-glucuronide,2TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C14010.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13926.1Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C13896.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #11C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C13927.0Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O3958.8Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #13C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4007.8Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #14C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3963.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #15C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3995.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #16C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3982.1Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #17C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3933.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #18C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3986.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #19C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C13970.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #2C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O3960.1Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #20C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@H]1O3993.5Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #21C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C13960.0Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #22C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3955.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #23C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3942.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #24C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3986.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #25C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4001.9Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #26C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3969.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #27C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13949.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #28C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C13967.8Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #29C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C13928.7Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O3912.9Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #30C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C13948.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #31C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3964.9Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #32C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C1)O23923.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #33C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C1)O23939.9Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #34C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3978.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #35C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4002.8Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #36C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C3979.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #37C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3962.0Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #38C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C13919.9Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #39C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C1)O23916.8Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C1)O23951.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #40C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3973.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #41C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13916.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #42C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C13930.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #43C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3913.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #44C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3927.8Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #45C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3895.7Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #46C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3943.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #47C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13942.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #48C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C13958.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #49C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3944.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #5C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C1)O23905.0Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #50C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3959.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #51C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3935.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #52C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3978.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #53C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O3945.0Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #54C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O3942.7Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #55C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O3934.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #56C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13946.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #6C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C1)O23941.5Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #7C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C13956.0Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O3920.9Semi standard non polar33892256
Catechin 3'-glucuronide,3TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C13940.7Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13913.1Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #10C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3861.8Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #11C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3828.1Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #12C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3862.7Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #13C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C1)O23869.5Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #14C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C1)O23875.2Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #15C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C1)O23851.8Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #16C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O3869.3Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #17C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C13909.4Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #18C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C13875.4Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #19C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C13899.9Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O3888.6Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #20C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3872.2Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #21C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3846.4Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #22C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3874.5Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #23C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C13868.3Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #24C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C13878.4Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C13855.2Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #26C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3925.2Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #27C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3896.9Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #28C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3926.9Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #29C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3937.1Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #3C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13897.1Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #30C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3947.9Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #31C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3922.1Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #32C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3912.4Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #33C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3950.6Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #34C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3921.4Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #35C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C13941.5Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #36C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3919.9Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #37C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3897.7Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #38C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3909.0Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #39C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3884.9Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #4C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13870.7Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #40C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3885.8Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #41C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3899.1Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #42C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3869.0Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #43C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3941.7Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #44C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3921.5Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #45C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3957.1Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #46C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13933.5Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #47C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13895.8Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #48C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13901.6Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #49C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C13908.7Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #5C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13887.3Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #50C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C13917.1Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #51C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C13902.8Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #52C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3903.4Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #53C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3907.6Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #54C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C1)O23892.0Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #55C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3943.5Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #56C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3880.7Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #57C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3864.7Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #58C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3912.3Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #59C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13885.8Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #6C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O3871.2Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #60C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C13894.5Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #61C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3887.9Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #62C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13898.4Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #63C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3885.3Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #64C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3869.1Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #65C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3855.0Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #66C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13925.5Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #67C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3913.0Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #68C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3893.7Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #69C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3885.6Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #7C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3910.5Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #70C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O3911.7Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #8C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3877.0Semi standard non polar33892256
Catechin 3'-glucuronide,4TMS,isomer #9C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3900.1Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O3880.5Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #10C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13862.2Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #11C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3876.8Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #12C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3846.9Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #13C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3879.8Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #14C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3877.1Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #15C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3878.5Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #16C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3855.6Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #17C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3852.6Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #18C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3878.0Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #19C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3856.9Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13900.2Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #20C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C1)O23868.5Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #21C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3887.3Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #22C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3860.8Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #23C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3889.8Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #24C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C13887.3Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C13891.7Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #26C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C13868.1Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #27C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3867.3Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #28C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3886.1Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #29C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3868.7Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #3C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13869.7Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #30C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C13881.3Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #31C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3885.1Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #32C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3912.0Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #33C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3890.8Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #34C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3915.7Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #35C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3919.0Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #36C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3900.8Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #37C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3902.5Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #38C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3881.7Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #39C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3899.9Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #4C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13882.9Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #40C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3884.6Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #41C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3901.6Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #42C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3889.8Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #43C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3870.1Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #44C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3894.4Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #45C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3924.4Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #46C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13905.7Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #47C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13909.6Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #48C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13893.9Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #49C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C13899.5Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3876.9Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #50C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3886.1Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #51C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3876.7Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #52C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3881.8Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #53C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3866.6Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #54C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13886.8Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #55C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3875.5Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #56C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3898.4Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #6C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3860.8Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3881.8Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #8C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13873.8Semi standard non polar33892256
Catechin 3'-glucuronide,5TMS,isomer #9C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13883.9Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3867.7Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #10C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13887.8Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #11C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3866.7Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #12C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3886.1Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #13C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3868.7Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #14C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3887.5Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #15C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3888.7Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #16C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3876.3Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #17C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3891.3Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #18C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3876.9Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #19C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C13901.1Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3853.1Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #20C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3893.5Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #21C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3894.2Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #22C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3879.4Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #23C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3865.6Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #24C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3878.8Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #25C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3911.6Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #26C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3897.1Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #27C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13900.6Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #28C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3864.4Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3871.7Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #4C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C)=C13885.0Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #5C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13882.7Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #6C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C13869.3Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3862.1Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3879.4Semi standard non polar33892256
Catechin 3'-glucuronide,6TMS,isomer #9C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@@H]3O[Si](C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3862.0Semi standard non polar33892256
Catechin 3'-glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=C14391.1Semi standard non polar33892256
Catechin 3'-glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@H]1O4410.0Semi standard non polar33892256
Catechin 3'-glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)O[C@H](C(=O)O)[C@H]1O4396.4Semi standard non polar33892256
Catechin 3'-glucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O4419.9Semi standard non polar33892256
Catechin 3'-glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O4430.7Semi standard non polar33892256
Catechin 3'-glucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4428.0Semi standard non polar33892256
Catechin 3'-glucuronide,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C14378.9Semi standard non polar33892256
Catechin 3'-glucuronide,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C1)O24363.0Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C1)O24432.9Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)=C1)O24448.3Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4507.1Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4494.6Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4475.4Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@@H]1O[Si](C)(C)C(C)(C)C4480.8Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)OC2=C14458.0Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C1)O24430.2Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4493.2Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4493.8Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14480.7Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C14445.8Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C1)O24461.7Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4515.4Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4518.8Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O4497.6Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O4475.9Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O4527.7Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C14510.7Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4483.0Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14474.1Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4488.6Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O4488.4Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C14462.9Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C14443.6Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C14464.7Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4522.0Semi standard non polar33892256
Catechin 3'-glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C14469.7Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14581.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)OC2=C14544.7Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14559.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O4604.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4579.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4552.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4584.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4565.7Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4518.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4559.7Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C14526.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4579.5Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4550.7Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C14524.5Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4617.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4575.7Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4624.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4610.8Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4561.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14613.7Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C14617.9Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)OC2=C14579.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O4553.5Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14594.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4586.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C1)O24540.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C1)O24549.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4585.5Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4610.1Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C(C)(C)C4560.5Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4557.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14580.0Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=C1)O24536.1Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)=C1)O24531.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4587.5Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14610.1Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)OC2=C14599.1Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4602.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4565.9Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4551.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4592.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14619.6Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14624.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #49CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4622.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C1)O24508.9Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4595.0Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #51CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4582.0Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #52CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4625.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O4632.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #54CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O4642.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #55CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@@H]3O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O4614.8Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #56CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14642.4Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C1)O24536.2Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C14599.3Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@@H]3O[Si](C)(C)C(C)(C)C)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O4582.1Semi standard non polar33892256
Catechin 3'-glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C14553.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Catechin 3'-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Catechin 3'-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Catechin 3'-glucuronide GC-MS (TMS_5_30) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Catechin 3'-glucuronide GC-MS (TMS_6_19) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Catechin 3'-glucuronide GC-MS (TBDMS_3_54) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Catechin 3'-glucuronide GC-MS ("Catechin 3'-glucuronide,5TMS,#30" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Catechin 3'-glucuronide 10V, Negative-QTOFsplash10-014i-0020900000-5be9e1eafb584df34eaf2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Catechin 3'-glucuronide 20V, Negative-QTOFsplash10-000i-1491200000-692b11c4130fee8a38352021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Catechin 3'-glucuronide 40V, Negative-QTOFsplash10-000i-3292000000-8a48c6badcd5aac6a8f32021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Catechin 3'-glucuronide 10V, Positive-QTOFsplash10-0005-0130900000-36fae42a64e64d7e2beb2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Catechin 3'-glucuronide 20V, Positive-QTOFsplash10-0007-0498600000-a41081cf22df02c3b2572021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Catechin 3'-glucuronide 40V, Positive-QTOFsplash10-062l-1962100000-8185e560812c02386a282021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB093585
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound156908317
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Djoumbou-Feunang Y, Fiamoncini J, Gil-de-la-Fuente A, Greiner R, Manach C, Wishart DS: BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification. J Cheminform. 2019 Jan 5;11(1):2. doi: 10.1186/s13321-018-0324-5. [PubMed:30612223 ]