This is a beta version released only for testing and focus grouping.
If you are interested in our project, see the Contact Us page for the ways to reach out to us.

Quercetin glycosides

C21H18O16S 558.4 g/mol
O H O O O H O O H O O H O H H O H O O H
Name Quercetin glycosides
Alternative name Quercetin 3-glucuronide-3'-sulfate
Formula C21H18O16S
Formula Weight 558.40 g/mol
Molecular Weight 558.40 g/mol
Monoisotopic Mass 558.032000 g/mol
InChI Key BHFKPZSIVFOJEX-ROQVLGAUSA-N
IUPAC (2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-sulfooxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2
SMILES OCC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
Food Berry, 
Food Source Strawberry, 
Family Phenolic
Class Flavonoid
Subclass Group Flavonol derivative
Subclass Flavonol
Metabolite Flavonol metabolite
CASNO No CAS
HMDB HMDB0135151
PubChem 44259321
KEGG C05625
FooDB FDB092131
DrugBank DB01698
ChEBI 75839
BioCyc RUTIN
METLIN 3677.0