quercetin-3-glucoside
Chemical Formula:
C21H19O12
Molecular Weight:
463.374 Daltons
Monoisotopic Mass:
464.09547610719994 Daltons
SMILES:
C1(C=C(O)C(O)=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4)))
InChI:
1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/p-1/t13-,15-,17+,18-,21+/m1/s1
InChIKey:
Synonyms
- quercetin-3-O-β-D-glucoside
- isoquercetin
- isoquercitrin
- isotrifoliin
- glucosyl 3-quercetin
Databases
MetaCyc:
CPD1F-437
HMDB:
HMDB37362
PubChem (CID):
25203368
KEGG:
C05623
MetaNetX:
MNXM21432