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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-08 14:59:00 UTC
Update Date2021-09-14 14:57:26 UTC
HMDB IDHMDB0029181
Secondary Accession Numbers
  • HMDB29181
Metabolite Identification
Common Name4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide
Description4'-O-methyl-(-)-epicatechin-5-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-5-O-beta-glucuronide.
Structure
Data?1582753385
Synonyms
ValueSource
4'-O-Methyl-(-)-epicatechin-5-O-b-glucuronideGenerator
4'-O-Methyl-(-)-epicatechin-5-O-β-glucuronideGenerator
(3S,4S,6S)-6-{[(3S)-2-(4-ethyl-3-hydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateHMDB
Chemical FormulaC23H26O11
Average Molecular Weight478.4459
Monoisotopic Molecular Weight478.147511674
IUPAC Name(3S,4S,6S)-6-{[(3S)-2-(4-ethyl-3-hydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name(3S,4S,6S)-6-{[(3S)-2-(4-ethyl-3-hydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
CCC1=CC=C(C=C1O)C1OC2=CC(O)=CC(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)=C2C[C@@H]1O
InChI Identifier
InChI=1S/C23H26O11/c1-2-9-3-4-10(5-13(9)25)20-14(26)8-12-15(32-20)6-11(24)7-16(12)33-23-19(29)17(27)18(28)21(34-23)22(30)31/h3-7,14,17-21,23-29H,2,8H2,1H3,(H,30,31)/t14-,17-,18-,19?,20?,21?,23+/m0/s1
InChI KeyMUYXNRKLXILZTM-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-5-o-glucuronide
  • 3'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavan-3-ol
  • Hydroxyflavonoid
  • Flavan
  • Phenolic glycoside
  • O-glucuronide
  • 1-o-glucuronide
  • Glucuronic acid or derivatives
  • Hexose monosaccharide
  • O-glycosyl compound
  • Glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Chromane
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Phenol
  • Beta-hydroxy acid
  • Hydroxy acid
  • Pyran
  • Monocyclic benzene moiety
  • Monosaccharide
  • Oxane
  • Benzenoid
  • Secondary alcohol
  • Ether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Acetal
  • Monocarboxylic acid or derivatives
  • Carbonyl group
  • Organooxygen compound
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • 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 Solubility1.59 g/LALOGPS
logP1.01ALOGPS
logP1.11ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)2.93ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area186.37 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity113.67 m³·mol⁻¹ChemAxon
Polarizability47.23 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
DarkChem[M+H]+212.12731661259
DarkChem[M-H]-212.76331661259
DeepCCS[M+H]+196.50330932474
DeepCCS[M-H]-194.24930932474
DeepCCS[M-2H]-227.4930932474
DeepCCS[M+Na]+202.24430932474
AllCCS[M+H]+213.532859911
AllCCS[M+H-H2O]+211.432859911
AllCCS[M+NH4]+215.432859911
AllCCS[M+Na]+216.032859911
AllCCS[M-H]-208.632859911
AllCCS[M+Na-2H]-209.832859911
AllCCS[M+HCOO]-211.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronideCCC1=CC=C(C=C1O)C1OC2=CC(O)=CC(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)=C2C[C@@H]1O5147.7Standard polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronideCCC1=CC=C(C=C1O)C1OC2=CC(O)=CC(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)=C2C[C@@H]1O4062.0Standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronideCCC1=CC=C(C=C1O)C1OC2=CC(O)=CC(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)=C2C[C@@H]1O4490.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TMS,isomer #1CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C4091.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TMS,isomer #2CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4152.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TMS,isomer #3CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4197.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TMS,isomer #4CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O4179.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TMS,isomer #5CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O4179.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TMS,isomer #6CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4141.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TMS,isomer #7CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O4169.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #1CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C4022.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #10CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O4045.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #11CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O4033.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #12CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4096.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #13CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O4117.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #14CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O4115.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #15CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O4085.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #16CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O4059.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #17CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O4101.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #18CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O4053.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #19CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O4076.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #2CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C4000.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #20CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O4067.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #21CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O4049.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #3CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C4023.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #4CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3992.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #5CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C4008.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #6CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C4000.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #7CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4044.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #8CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4058.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TMS,isomer #9CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O4031.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #1CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3938.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #10CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3987.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #11CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3978.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #12CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3954.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #13CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3951.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #14CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3913.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #15CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3935.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #16CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4010.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #17CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O3966.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #18CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O3995.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #19CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3955.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #2CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3975.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #20CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O4013.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #21CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O4007.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #22CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3979.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #23CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O3982.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #24CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3939.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #25CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3962.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #26CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O4042.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #27CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O4043.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #28CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O4017.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #29CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O4067.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #3CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3957.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #30CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O4032.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #31CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O4038.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #32CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O4014.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #33CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3962.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #34CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O4001.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #35CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3998.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #4CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3961.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #5CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3926.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #6CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3978.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #7CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3932.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #8CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3961.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TMS,isomer #9CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3929.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #1CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3934.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #10CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3891.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #11CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3959.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #12CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3961.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #13CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3927.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #14CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3925.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #15CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3879.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #16CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3906.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #17CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3964.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #18CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3937.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #19CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3931.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #2CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3895.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #20CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3905.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #21CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O3981.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #22CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O3974.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #23CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3939.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #24CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O3940.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #25CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3896.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #26CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3918.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #27CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O3981.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #28CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3949.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #29CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3939.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #3CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3907.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #30CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3918.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #31CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O4025.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #32CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3969.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #33CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3982.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #34CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3995.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #35CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3943.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #4CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3866.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #5CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3956.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #6CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3942.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #7CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3910.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #8CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3926.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,4TMS,isomer #9CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3890.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #1CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3906.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #10CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3855.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #11CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3943.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #12CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3899.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #13CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3905.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #14CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3862.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #15CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3913.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #16CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O3964.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #17CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3917.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #18CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3914.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #19CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3876.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #2CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3898.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #20CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3928.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #21CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O3962.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #3CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3872.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #4CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3857.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #5CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3831.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #6CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3841.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #7CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C3912.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #8CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3897.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,5TMS,isomer #9CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)C4O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3875.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TBDMS,isomer #1CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4348.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TBDMS,isomer #2CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4416.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TBDMS,isomer #3CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4430.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TBDMS,isomer #4CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O)C=C1O4425.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TBDMS,isomer #5CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O4444.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TBDMS,isomer #6CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4429.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,1TBDMS,isomer #7CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4404.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #1CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4521.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #10CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O4537.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #11CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4489.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #12CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4548.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #13CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O)C=C1O4526.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #14CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O4554.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #15CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4499.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #16CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O)C=C1O4519.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #17CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O4544.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #18CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4484.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #19CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O4553.4Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #2CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4487.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #20CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4509.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #21CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4492.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #3CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4484.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #4CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4484.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #5CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4492.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #6CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4453.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #7CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4530.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #8CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4530.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,2TBDMS,isomer #9CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O)C=C1O4521.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #1CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4641.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #10CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4587.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #11CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4610.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #12CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4559.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #13CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4600.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #14CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4562.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #15CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4562.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #16CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O4663.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #17CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O)C=C1O4646.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #18CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O4658.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #19CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4596.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #2CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4652.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #20CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O)C=C1O4633.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #21CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O4652.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #22CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4586.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #23CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O4640.9Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #24CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4585.3Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #25CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4594.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #26CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(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)C4O)=C3C[C@@H]2O)C=C1O4630.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #27CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O4672.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #28CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4591.8Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #29CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O4627.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #3CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4652.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #30CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4558.0Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #31CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4585.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #32CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O4630.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #33CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4560.5Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #34CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4574.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #35CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4595.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #4CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4646.7Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #5CCC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4607.2Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #6CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4622.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #7CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C4O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4604.1Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #8CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C4O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4613.6Semi standard non polar33892256
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide,3TBDMS,isomer #9CCC1=CC=C(C2OC3=CC(O)=CC(O[C@@H]4OC(C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C4O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4571.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0bvr-9207600000-ac03f1fb120a39fa97362017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide GC-MS (3 TMS) - 70eV, Positivesplash10-00c0-2231119000-8ce5d482409fece517212017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide 10V, Positive-QTOFsplash10-0w4r-0366900000-1705800f56e6f685f6512017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide 20V, Positive-QTOFsplash10-0f79-0954100000-b15b3a0ed647247b531f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide 40V, Positive-QTOFsplash10-00di-0910000000-1a128b8365132c32c8e12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide 10V, Negative-QTOFsplash10-0fc0-1213900000-daaea4d3aa7b0aeb566a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide 20V, Negative-QTOFsplash10-0udi-2927500000-b3bee0c2c8b8456eaa252017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide 40V, Negative-QTOFsplash10-0ufr-3924000000-57aa5a6f93068ac8275e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide 10V, Positive-QTOFsplash10-004i-0001900000-f4a6845342e5691f36bb2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide 20V, Positive-QTOFsplash10-0h00-0413900000-fee0775390effb5054cd2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide 40V, Positive-QTOFsplash10-00n0-0932000000-ede2f659b491c0177d2c2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide 10V, Negative-QTOFsplash10-004i-0000900000-b9a3c6d2a158133821452021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide 20V, Negative-QTOFsplash10-056r-6419700000-235044918cb762716c4f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide 40V, Negative-QTOFsplash10-016s-2972200000-0888c945f6a782d054082021-09-24Wishart 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 IDFDB031392
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131750799
PDB IDNot Available
ChEBI ID168684
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