PCIDB

KNApSAcK Metabolite C00003538

Metabolite

KNApSAcK Entry

id C00003538
Name Silphioside F / Calenduloside E / (+)-Silphioside F / (+)-Calenduloside E / Oleanoic acid 3-O-glucuronide
CAS RN 26020-14-4
Standard InChI InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26?,27?,29+,33-,34+,35+,36-/m0/s1
Standard InChI (Main Layer) InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 50

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL446866 CHEMBL1974914

KEGG

By LinkDB C08964

CTD

By CAS RN