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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2019-10-08 15:56:56 UTC
Update Date2022-03-07 03:18:17 UTC
HMDB IDHMDB0240467
Secondary Accession NumbersNone
Metabolite Identification
Common Name4'-Methylepicatechin 5-glucuronide
Description4'-Methylepicatechin 5-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 a significant number of articles have been published on 4'-Methylepicatechin 5-glucuronide.
Structure
Thumb
Synonyms
ValueSource
(2S,3S,4S,5R,6S)-6-{[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateHMDB
Chemical FormulaC22H24O12
Average Molecular Weight480.422
Monoisotopic Molecular Weight480.126776213
IUPAC Name(2S,3S,4S,5R,6S)-6-{[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6S)-6-{[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(OC)C=C1)C=C(O)C=C2O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
InChI Identifier
InChI=1S/C22H24O12/c1-31-13-3-2-8(4-11(13)24)19-12(25)7-10-14(32-19)5-9(23)6-15(10)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1
InChI KeyFJHGPEXCGXLNNU-FDRKUGEKSA-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
  • Catechin
  • 4p-methoxyflavonoid-skeleton
  • Hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavan-3-ol
  • Flavan
  • Phenolic glycoside
  • 1-o-glucuronide
  • O-glucuronide
  • Glucuronic acid or derivatives
  • Hexose monosaccharide
  • O-glycosyl compound
  • Glycosyl compound
  • Methoxyphenol
  • Chromane
  • Benzopyran
  • 1-benzopyran
  • Phenol ether
  • Phenoxy compound
  • Methoxybenzene
  • Anisole
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Beta-hydroxy acid
  • Phenol
  • Monosaccharide
  • Hydroxy acid
  • Pyran
  • Oxane
  • Benzenoid
  • Monocyclic benzene moiety
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Acetal
  • Polyol
  • Ether
  • Carboxylic acid
  • Oxacycle
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Organooxygen compound
  • Alcohol
  • Organic oxygen compound
  • Organic oxide
  • Carbonyl group
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0.25ALOGPS
logP-0.0068ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)2.93ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area195.6 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity110.49 m³·mol⁻¹ChemAxon
Polarizability46.16 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+192.29830932474
DeepCCS[M-H]-190.09730932474
DeepCCS[M-2H]-223.73130932474
DeepCCS[M+Na]+198.79830932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
4'-Methylepicatechin 5-glucuronide[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(OC)C=C1)C=C(O)C=C2O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O5495.9Standard polar33892256
4'-Methylepicatechin 5-glucuronide[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(OC)C=C1)C=C(O)C=C2O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O4033.3Standard non polar33892256
4'-Methylepicatechin 5-glucuronide[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(OC)C=C1)C=C(O)C=C2O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O4480.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
4'-Methylepicatechin 5-glucuronide,1TMS,isomer #1COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O4075.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TMS,isomer #2COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C4082.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TMS,isomer #3COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O4075.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TMS,isomer #4COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O4077.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TMS,isomer #5COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O4085.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TMS,isomer #6COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O4070.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TMS,isomer #7COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O4092.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #1COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3939.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #10COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3947.5Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #11COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3973.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #12COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O3963.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #13COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O3963.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #14COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O3945.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #15COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3958.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #16COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O3963.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #17COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O3924.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #18COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3951.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #19COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O3949.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #2COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3919.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #20COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3971.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #21COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3945.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #3COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3944.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #4COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3920.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #5COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3941.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #6COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3985.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #7COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3988.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #8COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3954.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TMS,isomer #9COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3974.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #1COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3855.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #10COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3845.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #11COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3861.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #12COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3903.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #13COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3840.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #14COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3866.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #15COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3901.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #16COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3914.5Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #17COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3930.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #18COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3904.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #19COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3924.5Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #2COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3878.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #20COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3895.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #21COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3852.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #22COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3892.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #23COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3887.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #24COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3904.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #25COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3884.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #26COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O3915.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #27COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O3884.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #28COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3912.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #29COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O3894.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #3COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3866.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #30COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3911.5Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #31COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3892.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #32COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O3863.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #33COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3897.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #34COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3855.5Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #35COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3873.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #4COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3882.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #5COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3905.5Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #6COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3854.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #7COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3822.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #8COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3852.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TMS,isomer #9COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3863.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #1COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3837.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #10COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3868.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #11COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3812.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #12COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3839.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #13COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3832.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #14COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3805.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #15COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3805.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #16COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3830.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #17COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3820.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #18COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3843.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #19COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3849.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #2COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3833.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #20COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3827.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #21COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3887.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #22COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3862.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #23COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3881.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #24COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3877.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #25COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3883.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #26COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3869.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #27COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3837.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #28COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3869.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #29COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3835.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #3COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3837.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #30COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3864.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #31COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O3860.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #32COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3884.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #33COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3853.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #34COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3872.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #35COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3869.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #4COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3855.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #5COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3838.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #6COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3849.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #7COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3879.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #8COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3835.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,4TMS,isomer #9COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3858.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #1COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O3824.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #10COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3838.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #11COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3849.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #12COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3829.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #13COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3858.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #14COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3827.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #15COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3851.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #16COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C3849.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #17COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3871.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #18COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3848.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #19COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3875.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #2COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3848.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #20COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C3879.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #21COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O)C=C1O3861.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #3COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3844.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #4COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3817.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #5COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3829.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #6COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3842.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #7COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O3839.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #8COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3848.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,5TMS,isomer #9COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3855.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TBDMS,isomer #1COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4314.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TBDMS,isomer #2COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4340.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TBDMS,isomer #3COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O4346.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TBDMS,isomer #4COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O4363.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TBDMS,isomer #5COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O4330.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TBDMS,isomer #6COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O4318.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,1TBDMS,isomer #7COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O4346.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #1COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4435.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #10COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4415.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #11COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4445.5Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #12COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O4488.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #13COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O4469.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #14COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O4470.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #15COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O4486.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #16COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O4454.5Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #17COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O4430.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #18COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O4461.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #19COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O4395.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #2COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4412.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #20COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O4410.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #21COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O4400.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #3COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4375.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #4COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4363.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #5COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4390.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #6COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4412.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #7COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4477.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #8COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4457.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,2TBDMS,isomer #9COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4426.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #1COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4593.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #10COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4473.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #11COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4488.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #12COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4511.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #13COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4471.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #14COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4500.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #15COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4522.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #16COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4627.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #17COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4612.5Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #18COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4605.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #19COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4620.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #2COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4573.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #20COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4558.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #21COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4538.5Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #22COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4565.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #23COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4522.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #24COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4532.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #25COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4520.7Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #26COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O)C=C1O4630.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #27COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O4615.5Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #28COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O4643.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #29COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O4587.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #3COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4582.4Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #30COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O4613.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #31COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O4597.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #32COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O)C=C1O4528.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #33COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O4574.8Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #34COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O4527.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #35COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C=C1O4510.0Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #4COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4594.3Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #5COC1=CC=C([C@H]2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4590.6Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #6COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4515.2Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #7COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4496.1Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #8COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4523.9Semi standard non polar33892256
4'-Methylepicatechin 5-glucuronide,3TBDMS,isomer #9COC1=CC=C([C@H]2OC3=CC(O)=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4542.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 4'-Methylepicatechin 5-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'-Methylepicatechin 5-glucuronide 10V, Negative-QTOFsplash10-004i-0001900000-c94a06489ae8d6fb35052021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-Methylepicatechin 5-glucuronide 20V, Negative-QTOFsplash10-004r-6947600000-ed9debcbfb60f7d2d28d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-Methylepicatechin 5-glucuronide 40V, Negative-QTOFsplash10-0a4r-2695100000-e0905d1ea4fffa09a3172021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-Methylepicatechin 5-glucuronide 10V, Positive-QTOFsplash10-0540-0034900000-ef7c8e0b3ab4bf5d48072021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-Methylepicatechin 5-glucuronide 20V, Positive-QTOFsplash10-000i-0906300000-9127e9b6f2d0d03724212021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4'-Methylepicatechin 5-glucuronide 40V, Positive-QTOFsplash10-000i-0904100000-2f8dc1382faa577223dd2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB093646
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound101244287
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available