PCIDB

KNApSAcK Metabolite C00005958

Metabolite

KNApSAcK Entry

id C00005958
Name Quercetin 3-(6''-galloylglucoside)
CAS RN 56316-75-7
Standard InChI InChI=1S/C28H24O16/c29-11-6-14(32)19-17(7-11)42-25(9-1-2-12(30)13(31)3-9)26(22(19)37)44-28-24(39)23(38)21(36)18(43-28)8-41-27(40)10-4-15(33)20(35)16(34)5-10/h1-7,18,21,23-24,28-36,38-39H,8H2/t18-,21-,23?,24?,28+/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H24O16/c29-11-6-14(32)19-17(7-11)42-25(9-1-2-12(30)13(31)3-9)26(22(19)37)44-28-24(39)23(38)21(36)18(43-28)8-41-27(40)10-4-15(33)20(35)16(34)5-10/h1-7,18,21,23-24,28-36,38-39H,8H2

Cluster

Phytochemical cluster
KCF-S cluster No. 98

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL499432

KEGG

By LinkDB

CTD

By CAS RN