PCIDB

KNApSAcK Metabolite C00004156

Metabolite

KNApSAcK Entry

id C00004156
Name Apigenin 7-rutinoside / Apigenin 7-O-rutinoside / Apigenin 7-O-beta-rutinoside
CAS RN 552-57-8
Standard InChI InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10?,18?,20-,21+,22-,23-,24?,25?,26+,27+/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL454778

KEGG

By LinkDB

CTD

By CAS RN