PCIDB

KNApSAcK Metabolite C00029593

Metabolite

KNApSAcK Entry

id C00029593
Name 7-Oxo-beta-sitosterol / 3beta-Hydroxystigmast-5-en-7-one
CAS RN 2034-74-4
Standard InChI InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1
Standard InChI (Main Layer) InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 53

Link

ChEMBL

By standard InChI CHEMBL254780
By standard InChI Main Layer CHEMBL254780 CHEMBL483850

KEGG

By LinkDB

CTD

By CAS RN C071711