Record Information
Version1.0
Creation date2017-11-02 09:49:22 UTC
Update date2017-11-02 09:49:22 UTC
FoodComEx IDPC001050
FoodDB RecordNot Available
Chemical Information
Namequercetin-3´-O-sulfate
Descriptionsulfate of the flavonol quercetin
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
Chemical FormulaC15H9O10S
IUPAC name2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl sulfate
InChI IdentifierInChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)/p-1
InChI KeyOSCLBBUATYLBQA-UHFFFAOYSA-M
Isomeric SMILESOC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(OS([O-])(=O)=O)=C(O)C=C1
Average Molecular Weight381.29
Monoisotopic Molecular Weight380.992191244
Chemical Taxonomy
Classflavonol
FamilyNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
onions, apples....
Production Data
Production Methodenzymatic synthesis
Production Method ReferenceValentová, K.; Káňová, K.; Di Meo, F.; Pelantová, H.; Chambers, C.; Rydlová, L.; Petrásková, L.; Křenková, A.; Cvačka, J.; Trouillas, P., et al. Chemoenzymatic preparation and biophysical properties of sulfated quercetin metabolites. Int. J. Mol. Sci. 2017, 18, 2231.
Production Method Reference FileNot Available
Quantity Available1 to 10 mg
Delivery TimeNot Available
Storage Formamorphous solid
Storage ConditionsRT
Stabilitymonths
Purity>95%
Spectra
Spectral Data Upon Request1H NMR, 13C NMR, ESI-MS, LC-MS, UV
Provider Information
Contact NameContact InstitutionContact Email
Kateřina ValentováInstitute of Microbiology, Laboratory of Biotransformation, Vídeňská 1083, Prague, CZ, 14220kata.valentova@email.cz