Record Information
Version1.0
Creation date2018-04-16 12:48:51 UTC
Update date2018-04-16 15:11:32 UTC
FoodComEx IDPC001137
FoodDB RecordFDB029940
Chemical Information
NameQuercetin 3'-glucuronide
DescriptionA quercetin metabolite detected in biological fluids. Quercetin is a flavonol widely distributed in plant foods. Its major source is onion.
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
Quercetin 3'-glucuronidemanual
Quercetin 3'-O-glucuronidemanual
Chemical FormulaC21H18O13
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid
InChI IdentifierInChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1
InChI KeyInChIKey=LBJLXDMWOKJIPQ-JENRNSKYSA-N
Isomeric SMILESO[C@@H]1[C@@H](O)[C@H](OC2=CC(=CC=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)O[C@@H]([C@H]1O)C(O)=O
Average Molecular Weight478
Monoisotopic Molecular Weight478
Chemical Taxonomy
ClassPolyphenols
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 Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 mg
Delivery Time2 weeks
Storage Formpowder
Storage ConditionsRT
StabilityNot Available
Purity>95%
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Claudine ManachINRA, Human Nutrition, Research Center Auvergne-Rhône-Alpes - Theix, Clermont-Ferrand, FR, F-63122claudine.manach@inra.fr