Record Information
Version1.0
Creation date2017-01-17 15:15:15 UTC
Update date2017-01-17 15:15:15 UTC
FoodComEx IDPC001041
FoodDB RecordNot Available
Chemical Information
Name Quercetin-4'-O-sulfate
DescriptionQuercetin-4'-O-sulfate is one of the main metabolites of quercetin
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
Chemical FormulaC15H10O10S
IUPAC name[2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid
InChI IdentifierInChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-10(8(17)3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)
InChI KeyWNILMGLHADIIDH-UHFFFAOYSA-N
Isomeric SMILESOC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(O)=C(OS(O)(=O)=O)C=C1
Average Molecular Weight382.3
Monoisotopic Molecular Weight381.999467696
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 Methodchemical synthesis
Production Method ReferenceDueñas, M.; Surco-Laos, F.; Gonzalez-Manzano, S.; González-Paramás, A.M.; Santos-Buelga C.. Antioxidant properties of major quercetin metabolites. European Food Research and Technology, 2011, 232: 103-111.
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 Request1D NMR, 2D NMR, LC-MS, LC-MS/MS, UV
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