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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-12 03:39:35 UTC
Update Date2022-03-07 02:57:11 UTC
HMDB IDHMDB0041739
Secondary Accession Numbers
  • HMDB41739
Metabolite Identification
Common NameGenistein 7-O-glucuronide
DescriptionGenistein 7-O-glucuronide belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Based on a literature review very few articles have been published on Genistein 7-O-glucuronide.
Structure
Data?1563863697
Synonyms
ValueSource
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylateHMDB
Chemical FormulaC21H18O11
Average Molecular Weight446.361
Monoisotopic Molecular Weight446.084911418
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O
InChI Identifier
InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
InChI KeyJIVINIISUDEORF-ZFORQUDYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassIsoflavonoids
Sub ClassIsoflavonoid O-glycosides
Direct ParentIsoflavonoid O-glycosides
Alternative Parents
Substituents
  • Isoflavonoid o-glycoside
  • Isoflavonoid-4p-o-glycoside
  • Isoflavone
  • Hydroxyisoflavonoid
  • Phenolic glycoside
  • 1-o-glucuronide
  • O-glucuronide
  • Glucuronic acid or derivatives
  • Hexose monosaccharide
  • Chromone
  • Glycosyl compound
  • O-glycosyl compound
  • 1-benzopyran
  • Benzopyran
  • Phenoxy compound
  • Phenol ether
  • Pyranone
  • Beta-hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Pyran
  • Oxane
  • Hydroxy acid
  • Monosaccharide
  • Monocyclic benzene moiety
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Acetal
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
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
Water Solubility1.34 g/LALOGPS
logP1.02ALOGPS
logP1.13ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)2.74ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area183.21 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity103.69 m³·mol⁻¹ChemAxon
Polarizability42.12 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+196.70230932474
DeepCCS[M-H]-194.52330932474
DeepCCS[M-2H]-227.76230932474
DeepCCS[M+Na]+202.58530932474
AllCCS[M+H]+201.232859911
AllCCS[M+H-H2O]+198.832859911
AllCCS[M+NH4]+203.332859911
AllCCS[M+Na]+204.032859911
AllCCS[M-H]-197.632859911
AllCCS[M+Na-2H]-197.832859911
AllCCS[M+HCOO]-198.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Genistein 7-O-glucuronideO[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O5413.4Standard polar33892256
Genistein 7-O-glucuronideO[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O3857.5Standard non polar33892256
Genistein 7-O-glucuronideO[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O4232.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Genistein 7-O-glucuronide,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O4153.3Semi standard non polar33892256
Genistein 7-O-glucuronide,1TMS,isomer #2C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O4183.9Semi standard non polar33892256
Genistein 7-O-glucuronide,1TMS,isomer #3C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO24132.7Semi standard non polar33892256
Genistein 7-O-glucuronide,1TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C14170.9Semi standard non polar33892256
Genistein 7-O-glucuronide,1TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@H]1O4162.8Semi standard non polar33892256
Genistein 7-O-glucuronide,1TMS,isomer #6C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4148.6Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #1C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@@H]1O[Si](C)(C)C4025.2Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #10C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4035.6Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #11C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO24020.7Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C14035.6Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #13C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4031.0Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #14C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C14030.3Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #15C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4057.0Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #2C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO23990.9Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=C3C2=O)C=C14006.1Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4016.8Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C4017.9Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #6C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO24023.3Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C14038.9Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4057.3Semi standard non polar33892256
Genistein 7-O-glucuronide,2TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@H]1O4039.7Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C3997.9Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3985.3Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #11C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3967.0Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #12C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO23947.7Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C13959.4Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #14C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3979.2Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O)=C3C2=O)C=C13976.1Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #16C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4007.9Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #17C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O3988.6Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #18C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3974.1Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C13961.4Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3980.9Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #20C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3983.9Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #3C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO23938.6Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O)=C3C2=O)C=C13964.4Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3929.5Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #6C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO23937.3Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C13945.4Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3946.5Semi standard non polar33892256
Genistein 7-O-glucuronide,3TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O)=C3C2=O)C=C13962.9Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #1C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO23947.3Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #10C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3949.9Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #11C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3970.3Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #12C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3941.2Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O[Si](C)(C)C)=C3C2=O)C=C13950.7Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #14C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3965.1Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #15C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3971.3Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O)=C3C2=O)C=C13969.9Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4011.8Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3925.4Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #5C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3945.7Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O[Si](C)(C)C)=C3C2=O)C=C13944.3Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3939.8Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3929.0Semi standard non polar33892256
Genistein 7-O-glucuronide,4TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O[Si](C)(C)C)=C3C2=O)C=C13934.7Semi standard non polar33892256
Genistein 7-O-glucuronide,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3951.3Semi standard non polar33892256
Genistein 7-O-glucuronide,5TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O[Si](C)(C)C)=C3C2=O)C=C13971.7Semi standard non polar33892256
Genistein 7-O-glucuronide,5TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3977.7Semi standard non polar33892256
Genistein 7-O-glucuronide,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3959.9Semi standard non polar33892256
Genistein 7-O-glucuronide,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3960.3Semi standard non polar33892256
Genistein 7-O-glucuronide,5TMS,isomer #6C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3979.2Semi standard non polar33892256
Genistein 7-O-glucuronide,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3989.3Semi standard non polar33892256
Genistein 7-O-glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O4412.8Semi standard non polar33892256
Genistein 7-O-glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O4438.9Semi standard non polar33892256
Genistein 7-O-glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO24399.7Semi standard non polar33892256
Genistein 7-O-glucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C14430.0Semi standard non polar33892256
Genistein 7-O-glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@H]1O4416.7Semi standard non polar33892256
Genistein 7-O-glucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4461.3Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@@H]1O[Si](C)(C)C(C)(C)C4497.5Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4566.9Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO24486.4Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C14565.3Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4558.8Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O)=C3C2=O)C=C14501.7Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4557.9Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO24467.0Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O)=C3C2=O)C=C14491.9Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4514.1Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4478.6Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO24504.1Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O)=C3C2=O)C=C14525.4Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4564.9Semi standard non polar33892256
Genistein 7-O-glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4501.8Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C(C)(C)C4612.7Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4615.4Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4667.8Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO24633.5Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C14726.3Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4692.4Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O)=C3C2=O)C=C14654.1Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4664.3Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4739.3Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4663.2Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C14707.6Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4627.9Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4681.1Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO24615.8Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O)=C3C2=O)C=C14638.3Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4627.9Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1)=CO24606.0Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C14710.3Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4656.9Semi standard non polar33892256
Genistein 7-O-glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=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)=CC(O)=C3C2=O)C=C14625.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Genistein 7-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a6r-9114400000-9d3f4c608450f76a13652017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Genistein 7-O-glucuronide GC-MS (3 TMS) - 70eV, Positivesplash10-006t-3043149000-c016e91fb7e36dd95e362017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Genistein 7-O-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 - Genistein 7-O-glucuronide 10V, Positive-QTOFsplash10-00fs-0080900000-1f19e7a02c634953e1312017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Genistein 7-O-glucuronide 20V, Positive-QTOFsplash10-00di-0090100000-afadf539e1d49d9e36e52017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Genistein 7-O-glucuronide 40V, Positive-QTOFsplash10-0fkc-2290000000-4e59450e78c5734363242017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Genistein 7-O-glucuronide 10V, Negative-QTOFsplash10-00kb-1152900000-ae4dfbfa90a4694007ca2017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Genistein 7-O-glucuronide 20V, Negative-QTOFsplash10-014i-1191200000-72b88478f07363179c832017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Genistein 7-O-glucuronide 40V, Negative-QTOFsplash10-014i-3290000000-d280f0c61dce68e4239e2017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Genistein 7-O-glucuronide 10V, Negative-QTOFsplash10-00os-0130900000-9892d84cbb33b925e2602021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Genistein 7-O-glucuronide 20V, Negative-QTOFsplash10-014i-1090100000-bb60e2ea44594894aa862021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Genistein 7-O-glucuronide 40V, Negative-QTOFsplash10-004i-0090000000-8d2e6176ff6f56ff7a612021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Genistein 7-O-glucuronide 10V, Positive-QTOFsplash10-006t-0040900000-df97bf65c46022c2767b2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Genistein 7-O-glucuronide 20V, Positive-QTOFsplash10-00di-0091400000-9342c3ec0b01161ddb492021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Genistein 7-O-glucuronide 40V, Positive-QTOFsplash10-00di-5692300000-0b0c23b66f69f5070adb2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 874 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal 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 IDFDB029906
KNApSAcK IDNot Available
Chemspider ID13083403
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound15940724
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Neveu V, Perez-Jimenez J, Vos F, Crespy V, du Chaffaut L, Mennen L, Knox C, Eisner R, Cruz J, Wishart D, Scalbert A: Phenol-Explorer: an online comprehensive database on polyphenol contents in foods. Database (Oxford). 2010;2010:bap024. doi: 10.1093/database/bap024. Epub 2010 Jan 8. [PubMed:20428313 ]