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:

OVSQVDMCBVZWGM-QSOFNFLRSA-M

Synonyms

quercetin-3-O-β-D-glucoside
isoquercetin
isoquercitrin
isotrifoliin
glucosyl 3-quercetin

Databases

MetaCyc: CPD1F-437

ChEBI: 28299 144437

HMDB: HMDB37362

PubChem (CID): 25203368

KEGG: C05623

MetaNetX: MNXM21432