PCIDB

KNApSAcK Metabolite C00005405

Metabolite

KNApSAcK Entry

id C00005405
Name Quercetin 3-sambubioside / Quercetin 3-O-sambubioside / (+)-Quercetin 3-O-sambubioside
CAS RN 83048-35-5
Standard InChI InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15?,17?,18-,20?,21-,24?,25+,26+/m1/s1
Standard InChI (Main Layer) InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL455758 CHEMBL2152044

KEGG

By LinkDB

CTD

By CAS RN C071751