Record Information
Version1.0
Creation date2017-01-17 15:20:45 UTC
Update date2017-01-17 15:20:45 UTC
FoodComEx IDPC001042
FoodDB RecordNot Available
Chemical Information
NameQuercetin 3-O-glucuronide
DescriptionQuercetin 3-O-glucuronide is one of the main metabolites of quercetin
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
Chemical FormulaC21H18O13
IUPAC name6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI IdentifierInChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)
InChI KeyDUBCCGAQYVUYEU-UHFFFAOYSA-N
Isomeric SMILESOC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O
Average Molecular Weight478.3598
Monoisotopic Molecular Weight478.074740662
Chemical Taxonomy
ClassFlavonoid
Familyflavonols
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodenzymatic synthesis
Production Method ReferenceDueñas M, Mingo-Chornet H, Pérez-Alonso JJ, Di Paola-Naranjo R, González-Paramás A, Santos-Buelga C. Preparation of quercetin glucuronides and characterization by HPLC–DAD–ESI/MS. European Food Research and Technology. 2008, 227: 1069-1076.
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, in mg
Delivery TimeNot Available
Storage Formsolid
Storage ConditionsRT
StabilityNot Available
Purity>90%
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Celestino Santos-BuelgaUniversidad de Salamanca, Area de Nutrición y Bromatología, Facultad de Farmacia - Campus Miguel de Unamuno, Salamanca, ES, 37007csb@usal.es