PCIDB

KNApSAcK Metabolite C00037685

Metabolite

KNApSAcK Entry

id C00037685
Name Primulagenin A / Schiwalligenin B1
CAS RN 465-95-2
Standard InChI InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24+,27-,28+,29+,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-24,31-33H,9-18H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 13

Link

ChEMBL

By standard InChI CHEMBL496854
By standard InChI Main Layer CHEMBL496854 CHEMBL1706157

KEGG

By LinkDB

CTD

By CAS RN