PCIDB

KNApSAcK Metabolite C00005957

Metabolite

KNApSAcK Entry

id C00005957
Name Quercetin 3-(2''-galloylglucoside)
CAS RN 69624-79-9
Standard InChI InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18?,21-,23?,26-,28+/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2

Cluster

Phytochemical cluster
KCF-S cluster No. 98

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL459260 CHEMBL505880

KEGG

By LinkDB

CTD

By CAS RN