PCIDB

KNApSAcK Metabolite C00005956

Metabolite

KNApSAcK Entry

id C00005956
Name Quercetin 3-O-malonylglucoside / Quercetin 3-(6''-malonylglucoside) / Quercetin 3-O-(6''-O-malonyl)-beta-D-glucoside
CAS RN 96862-01-0
Standard InChI InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20?,21?,24+/m1/s1
Standard InChI (Main Layer) InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 2

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C12638

CTD

By CAS RN