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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-08 14:58:58 UTC
Update Date2021-09-14 14:58:03 UTC
HMDB IDHMDB0029180
Secondary Accession Numbers
  • HMDB29180
Metabolite Identification
Common Name4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide
Description4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Based on a literature review very few articles have been published on 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide.
Structure
Thumb
Synonyms
ValueSource
4'-O-Methyl-(-)-epicatechin-3'-O-b-glucuronideGenerator
4'-O-Methyl-(-)-epicatechin-3'-O-β-glucuronideGenerator
(3S,4S,6S)-3,4,5-Trihydroxy-6-[2-(methoxymethyl)-5-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy]oxane-2-carboxylateHMDB
Chemical FormulaC23H26O12
Average Molecular Weight494.4453
Monoisotopic Molecular Weight494.142426296
IUPAC Name(3S,4S,6S)-3,4,5-trihydroxy-6-[2-(methoxymethyl)-5-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy]oxane-2-carboxylic acid
Traditional Name(3S,4S,6S)-3,4,5-trihydroxy-6-[2-(methoxymethyl)-5-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy]oxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
COCC1=CC=C(C=C1O[C@@H]1OC([C@@H](O)[C@H](O)C1O)C(O)=O)C1OC2=CC(O)=CC(O)=C2C[C@@H]1O
InChI Identifier
InChI=1S/C23H26O12/c1-32-8-10-3-2-9(20-14(26)7-12-13(25)5-11(24)6-16(12)33-20)4-15(10)34-23-19(29)17(27)18(28)21(35-23)22(30)31/h2-6,14,17-21,23-29H,7-8H2,1H3,(H,30,31)/t14-,17-,18-,19?,20?,21?,23+/m0/s1
InChI KeyFSEFRWXTJLHUBQ-QHZMYPFFSA-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
  • Hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavan-3-ol
  • Flavan
  • Phenolic glycoside
  • O-glucuronide
  • 1-o-glucuronide
  • Glucuronic acid or derivatives
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Chromane
  • Benzylether
  • Phenol ether
  • Phenoxy compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Beta-hydroxy acid
  • Hydroxy acid
  • Monosaccharide
  • Pyran
  • Benzenoid
  • Oxane
  • Monocyclic benzene moiety
  • Secondary alcohol
  • Polyol
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Ether
  • Oxacycle
  • Acetal
  • Carboxylic acid derivative
  • Dialkyl ether
  • Carboxylic acid
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxygen compound
  • Carbonyl group
  • Organooxygen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.76 g/LALOGPS
logP0.32ALOGPS
logP0.027ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)3.09ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area195.6 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity115.6 m³·mol⁻¹ChemAxon
Polarizability48.13 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+210.21931661259
DarkChem[M-H]-208.51931661259
DeepCCS[M+H]+196.04530932474
DeepCCS[M-H]-194.1530932474
DeepCCS[M-2H]-227.39130932474
DeepCCS[M+Na]+201.78530932474
AllCCS[M+H]+214.232859911
AllCCS[M+H-H2O]+212.232859911
AllCCS[M+NH4]+216.132859911
AllCCS[M+Na]+216.632859911
AllCCS[M-H]-210.832859911
AllCCS[M+Na-2H]-211.932859911
AllCCS[M+HCOO]-213.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronideCOCC1=CC=C(C=C1O[C@@H]1OC([C@@H](O)[C@H](O)C1O)C(O)=O)C1OC2=CC(O)=CC(O)=C2C[C@@H]1O5159.8Standard polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronideCOCC1=CC=C(C=C1O[C@@H]1OC([C@@H](O)[C@H](O)C1O)C(O)=O)C1OC2=CC(O)=CC(O)=C2C[C@@H]1O4071.1Standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronideCOCC1=CC=C(C=C1O[C@@H]1OC([C@@H](O)[C@H](O)C1O)C(O)=O)C1OC2=CC(O)=CC(O)=C2C[C@@H]1O4562.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TMS,isomer #1COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O4188.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TMS,isomer #2COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O4174.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TMS,isomer #3COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C4179.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TMS,isomer #4COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O4132.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TMS,isomer #5COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4162.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TMS,isomer #6COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4154.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TMS,isomer #7COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4167.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #1COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O4090.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #10COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O4050.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #11COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C4103.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #12COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C4067.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #13COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C4072.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #14COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C4083.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #15COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O[Si](C)(C)C4081.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #16COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O4055.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #17COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O4050.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #18COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O4058.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #19COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4057.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #2COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O4097.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #20COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4059.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #21COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4061.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #3COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O4101.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #4COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O4097.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #5COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O4120.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #6COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C4119.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #7COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O4050.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #8COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O4053.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TMS,isomer #9COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O4058.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #1COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O4028.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #10COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O4041.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #11COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O4062.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #12COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C4066.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #13COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O4055.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #14COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C4071.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #15COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C4097.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #16COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O4004.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #17COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O3977.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #18COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O3980.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #19COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C4016.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #2COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O4020.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #20COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O3980.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #21COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O3977.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #22COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C4020.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #23COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O3979.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #24COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C4036.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #25COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C4031.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #26COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C4008.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #27COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C4002.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #28COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O[Si](C)(C)C4017.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #29COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C4006.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #3COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O4032.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #30COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O[Si](C)(C)C4017.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #31COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O[Si](C)(C)C4026.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #32COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O3979.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #33COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O3985.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #34COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O3983.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #35COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O3974.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #4COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O4042.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #5COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C4042.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #6COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O4027.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #7COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O4032.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #8COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O4051.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TMS,isomer #9COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C4044.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #1COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O3956.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #10COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C4017.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #11COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O3971.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #12COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O3993.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #13COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C3977.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #14COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O4000.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #15COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C4000.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #16COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C4013.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #17COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O4009.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #18COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C4021.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #19COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C4041.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #2COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O3978.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #20COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C4061.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #21COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O3931.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #22COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O3938.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #23COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3964.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #24COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O3912.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #25COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3954.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #26COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3954.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #27COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O3915.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #28COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3953.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #29COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3956.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #3COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O4002.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #30COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3979.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #31COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C3934.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #32COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O[Si](C)(C)C3947.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #33COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O[Si](C)(C)C3942.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #34COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O[Si](C)(C)C3949.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #35COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O3906.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #4COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C3982.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #5COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O3963.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #6COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O3986.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #7COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C3975.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #8COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O3993.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,4TMS,isomer #9COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C3993.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #1COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O3899.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #10COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3989.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #11COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O3939.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #12COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C3940.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #13COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3949.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #14COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3986.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #15COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3999.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #16COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O3863.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #17COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3881.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #18COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3894.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #19COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3906.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #2COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O3927.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #20COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3897.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #21COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C1O[Si](C)(C)C3871.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #3COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C3906.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #4COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O3936.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #5COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C3935.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #6COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3947.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #7COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O3947.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #8COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C1O[Si](C)(C)C3945.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,5TMS,isomer #9COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1O[Si](C)(C)C3962.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TBDMS,isomer #1COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O4411.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TBDMS,isomer #2COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O4404.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TBDMS,isomer #3COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C(C)(C)C4429.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TBDMS,isomer #4COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C1O4410.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TBDMS,isomer #5COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4419.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TBDMS,isomer #6COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4392.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,1TBDMS,isomer #7COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4395.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #1COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O4545.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #10COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O4520.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #11COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4541.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #12COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C(C)(C)C4546.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #13COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C(C)(C)C4528.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #14COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C(C)(C)C4512.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #15COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C1O[Si](C)(C)C(C)(C)C4550.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #16COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C1O4548.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #17COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C1O4519.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #18COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C1O4506.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #19COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4539.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #2COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O4518.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #20COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4500.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #21COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4483.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #3COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O4505.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #4COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O4552.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #5COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1O4524.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #6COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O[Si](C)(C)C(C)(C)C4551.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #7COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O4532.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #8COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O4504.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,2TBDMS,isomer #9COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O4482.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #1COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O4654.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #10COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O4596.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #11COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1O4557.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #12COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O[Si](C)(C)C(C)(C)C4585.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #13COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1O4620.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #14COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O[Si](C)(C)C(C)(C)C4672.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #15COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4631.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #16COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O4654.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #17COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O4597.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #18COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O4645.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #19COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4640.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #2COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O4592.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #20COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O4559.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #21COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O4604.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #22COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4602.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #23COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O4563.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #24COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4578.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #25COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4620.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #26COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C(C)(C)C4646.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #27COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C(C)(C)C4588.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #28COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C1O[Si](C)(C)C(C)(C)C4652.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #29COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O[Si](C)(C)C(C)(C)C4568.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #3COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O4665.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #30COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C1O[Si](C)(C)C(C)(C)C4619.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #31COCC1=CC=C(C2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C1O[Si](C)(C)C(C)(C)C4596.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #32COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C1O4651.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #33COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C1O4605.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #34COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C1O4579.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #35COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O4608.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #4COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1O4636.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #5COCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O[Si](C)(C)C(C)(C)C4647.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #6COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O4557.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #7COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O4628.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #8COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1O4592.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,isomer #9COCC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[C@@H]1OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1O[Si](C)(C)C(C)(C)C4610.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0bvr-9105700000-794a0a7fcd5aaeab0ed12017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide GC-MS (2 TMS) - 70eV, Positivesplash10-00di-8300049000-ac1955fea42f277f875d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide GC-MS (TBDMS_3_28) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide GC-MS ("4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide,3TBDMS,#28" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide 10V, Positive-QTOFsplash10-0gds-0516900000-3c11e7f1f3f61153f9a22017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide 20V, Positive-QTOFsplash10-0fri-0915100000-973300df47e23aa521322017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide 40V, Positive-QTOFsplash10-0fki-1902000000-9cc6d26a0266bdb092c82017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide 10V, Negative-QTOFsplash10-00kg-1213900000-15979c393592be27ee7a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide 20V, Negative-QTOFsplash10-014r-2758900000-9b51d92d90a0618c8ba72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide 40V, Negative-QTOFsplash10-00vi-3934000000-b013047e6e8ac5697ff12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide 10V, Positive-QTOFsplash10-0171-0136900000-309341c39bcf7e0529732021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide 20V, Positive-QTOFsplash10-00kk-0132900000-9b23b0093c8ec04f57812021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide 40V, Positive-QTOFsplash10-02br-4936200000-898e6ec011d182cd0a722021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide 10V, Negative-QTOFsplash10-0006-0230900000-951d46f6a391aebbb2862021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide 20V, Negative-QTOFsplash10-029j-0142900000-ad9caf7f6d5622f3f5062021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide 40V, Negative-QTOFsplash10-0600-6395700000-e8e408b83044fc5b624f2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB031391
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131750798
PDB IDNot Available
ChEBI ID172714
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available