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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-05-22 14:17:42 UTC
Update Date2021-09-14 15:46:48 UTC
HMDB IDHMDB0002219
Secondary Accession Numbers
  • HMDB02219
Metabolite Identification
Common NameGlycitin
DescriptionGlycitin is an isoflavone glycoside present in human diets containing soy. The transformation of glycitin by intestinal microflora produces glycitein, a compound found to scavenge intracellular reactive oxygen species. Diverse bacteria strains from human origin have specific activity (beta-glucosidase activity) in the metabolism of dietary flavonoids. Soy isoflavones are popular supplements based on their potential protection against cancer and their use as alternative hormone replacement therapy. Is one of the isoflavones present in ready-to-feed soy-based infant formula. (PMID: 17516245 , 17157426 , 17439230 , 12607743 ).
Structure
Data?1582752237
SynonymsNot Available
Chemical FormulaC22H22O10
Average Molecular Weight446.4041
Monoisotopic Molecular Weight446.121296924
IUPAC Name3-(4-hydroxyphenyl)-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Traditional Nameglycitin
CAS Registry NumberNot Available
SMILES
COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1
InChI Identifier
InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3
InChI KeyOZBAVEKZGSOMOJ-UHFFFAOYSA-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-7-o-glycoside
  • Isoflavone
  • Phenolic glycoside
  • Hexose monosaccharide
  • Chromone
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Anisole
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Pyranone
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Monosaccharide
  • Oxane
  • Heteroaromatic compound
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Acetal
  • Polyol
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Primary alcohol
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
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 Solubility0.54 g/LALOGPS
logP0.83ALOGPS
logP0.3ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)8.96ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area155.14 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity108.31 m³·mol⁻¹ChemAxon
Polarizability44.29 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+205.49831661259
DarkChem[M-H]-201.12631661259
DeepCCS[M+H]+205.08830932474
DeepCCS[M-H]-202.7330932474
DeepCCS[M-2H]-235.61630932474
DeepCCS[M+Na]+212.02530932474
AllCCS[M+H]+204.232859911
AllCCS[M+H-H2O]+201.832859911
AllCCS[M+NH4]+206.432859911
AllCCS[M+Na]+207.032859911
AllCCS[M-H]-200.632859911
AllCCS[M+Na-2H]-201.232859911
AllCCS[M+HCOO]-201.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
GlycitinCOC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C14773.3Standard polar33892256
GlycitinCOC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C13959.4Standard non polar33892256
GlycitinCOC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C14437.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glycitin,1TMS,isomer #1COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4241.2Semi standard non polar33892256
Glycitin,1TMS,isomer #2COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4202.3Semi standard non polar33892256
Glycitin,1TMS,isomer #3COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4200.5Semi standard non polar33892256
Glycitin,1TMS,isomer #4COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O4215.6Semi standard non polar33892256
Glycitin,1TMS,isomer #5COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O4231.8Semi standard non polar33892256
Glycitin,2TMS,isomer #1COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O4080.1Semi standard non polar33892256
Glycitin,2TMS,isomer #10COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O4045.0Semi standard non polar33892256
Glycitin,2TMS,isomer #2COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4070.7Semi standard non polar33892256
Glycitin,2TMS,isomer #3COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4061.7Semi standard non polar33892256
Glycitin,2TMS,isomer #4COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O4077.9Semi standard non polar33892256
Glycitin,2TMS,isomer #5COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O4041.4Semi standard non polar33892256
Glycitin,2TMS,isomer #6COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4026.9Semi standard non polar33892256
Glycitin,2TMS,isomer #7COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O4035.2Semi standard non polar33892256
Glycitin,2TMS,isomer #8COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O4026.8Semi standard non polar33892256
Glycitin,2TMS,isomer #9COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O4039.9Semi standard non polar33892256
Glycitin,3TMS,isomer #1COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O3951.8Semi standard non polar33892256
Glycitin,3TMS,isomer #10COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O3924.3Semi standard non polar33892256
Glycitin,3TMS,isomer #2COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O3917.0Semi standard non polar33892256
Glycitin,3TMS,isomer #3COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O3950.2Semi standard non polar33892256
Glycitin,3TMS,isomer #4COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)OC=C(C1=CC=C(O)C=C1)C2=O3967.5Semi standard non polar33892256
Glycitin,3TMS,isomer #5COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O4005.2Semi standard non polar33892256
Glycitin,3TMS,isomer #6COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O3968.2Semi standard non polar33892256
Glycitin,3TMS,isomer #7COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O3903.2Semi standard non polar33892256
Glycitin,3TMS,isomer #8COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O3926.2Semi standard non polar33892256
Glycitin,3TMS,isomer #9COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O3959.2Semi standard non polar33892256
Glycitin,4TMS,isomer #1COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O3842.3Semi standard non polar33892256
Glycitin,4TMS,isomer #2COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O3886.0Semi standard non polar33892256
Glycitin,4TMS,isomer #3COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O3855.6Semi standard non polar33892256
Glycitin,4TMS,isomer #4COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O3948.4Semi standard non polar33892256
Glycitin,4TMS,isomer #5COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O3850.4Semi standard non polar33892256
Glycitin,5TMS,isomer #1COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O3840.8Semi standard non polar33892256
Glycitin,1TBDMS,isomer #1COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4504.6Semi standard non polar33892256
Glycitin,1TBDMS,isomer #2COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4490.8Semi standard non polar33892256
Glycitin,1TBDMS,isomer #3COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4485.7Semi standard non polar33892256
Glycitin,1TBDMS,isomer #4COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O4492.1Semi standard non polar33892256
Glycitin,1TBDMS,isomer #5COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O4472.5Semi standard non polar33892256
Glycitin,2TBDMS,isomer #1COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O4602.9Semi standard non polar33892256
Glycitin,2TBDMS,isomer #10COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O4603.5Semi standard non polar33892256
Glycitin,2TBDMS,isomer #2COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4604.0Semi standard non polar33892256
Glycitin,2TBDMS,isomer #3COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4592.0Semi standard non polar33892256
Glycitin,2TBDMS,isomer #4COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O4603.0Semi standard non polar33892256
Glycitin,2TBDMS,isomer #5COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O4604.9Semi standard non polar33892256
Glycitin,2TBDMS,isomer #6COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4582.4Semi standard non polar33892256
Glycitin,2TBDMS,isomer #7COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O4591.8Semi standard non polar33892256
Glycitin,2TBDMS,isomer #8COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O4594.7Semi standard non polar33892256
Glycitin,2TBDMS,isomer #9COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O4600.5Semi standard non polar33892256
Glycitin,3TBDMS,isomer #1COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O4696.1Semi standard non polar33892256
Glycitin,3TBDMS,isomer #10COC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O4700.3Semi standard non polar33892256
Glycitin,3TBDMS,isomer #2COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O4697.2Semi standard non polar33892256
Glycitin,3TBDMS,isomer #3COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O4692.2Semi standard non polar33892256
Glycitin,3TBDMS,isomer #4COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)OC=C(C1=CC=C(O)C=C1)C2=O4677.5Semi standard non polar33892256
Glycitin,3TBDMS,isomer #5COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O4705.3Semi standard non polar33892256
Glycitin,3TBDMS,isomer #6COC1=CC2=C(C=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O4667.0Semi standard non polar33892256
Glycitin,3TBDMS,isomer #7COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O4680.3Semi standard non polar33892256
Glycitin,3TBDMS,isomer #8COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O4694.8Semi standard non polar33892256
Glycitin,3TBDMS,isomer #9COC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O4658.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glycitin GC-MS (Non-derivatized) - 70eV, Positivesplash10-05y0-9314500000-abf346b6fc620d59a6ad2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycitin GC-MS (3 TMS) - 70eV, Positivesplash10-0002-7331019000-b70749f1941f866f40fd2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycitin 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 - Glycitin 10V, Positive-QTOFsplash10-000j-0190800000-54ec89c3148f1910c2c82015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycitin 20V, Positive-QTOFsplash10-000i-0090100000-3b918f38f9d2cf8672242015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycitin 40V, Positive-QTOFsplash10-014r-2190000000-9007c57bfd74574a808c2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycitin 10V, Negative-QTOFsplash10-000t-0151900000-392cca0e0904f518b6962015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycitin 20V, Negative-QTOFsplash10-00lr-1090200000-9bd7cc7792824852083d2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycitin 40V, Negative-QTOFsplash10-0159-2090000000-79e0163bd5b1bff14b802015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycitin 10V, Positive-QTOFsplash10-000i-0090400000-330b5b28421b105ab81b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycitin 20V, Positive-QTOFsplash10-000i-0190100000-ebdc26c3b3a12827faa82021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycitin 40V, Positive-QTOFsplash10-000i-5191000000-b91453701a99e95e4f572021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycitin 10V, Negative-QTOFsplash10-0002-0030900000-9d60bf640748ae8318902021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycitin 20V, Negative-QTOFsplash10-015a-2195800000-aa79258983fd447a4da22021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycitin 40V, Negative-QTOFsplash10-014l-1191000000-cb98dad12713160590d82021-09-24Wishart 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 IDFDB017323
KNApSAcK IDC00010089
Chemspider ID10176999
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkGlycitin
METLIN IDNot Available
PubChem Compound12004532
PDB IDNot Available
ChEBI ID1097945
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. Kang KA, Zhang R, Piao MJ, Lee KH, Kim BJ, Kim SY, Kim HS, Kim DH, You HJ, Hyun JW: Inhibitory effects of glycitein on hydrogen peroxide induced cell damage by scavenging reactive oxygen species and inhibiting c-Jun N-terminal kinase. Free Radic Res. 2007 Jun;41(6):720-9. [PubMed:17516245 ]
  2. Daly KT, Tracy AC, Malik M, Wang T, Francke-Carroll S, Magnuson BA: Enhanced estrogenic responses and sensitivity to azoxymethane following dietary soy isoflavone supplementation in older female rats. Food Chem Toxicol. 2007 Apr;45(4):628-37. Epub 2006 Nov 2. [PubMed:17157426 ]
  3. Marotti I, Bonetti A, Biavati B, Catizone P, Dinelli G: Biotransformation of common bean (Phaseolus vulgaris L.) flavonoid glycosides by bifidobacterium species from human intestinal origin. J Agric Food Chem. 2007 May 16;55(10):3913-9. Epub 2007 Apr 18. [PubMed:17439230 ]
  4. Johns P, Dowlati L, Wargo W: Determination of isoflavones in ready-to-feed soy-based infant formula. J AOAC Int. 2003 Jan-Feb;86(1):72-8. [PubMed:12607743 ]