PCIDB

KNApSAcK Metabolite C00029573

Metabolite

KNApSAcK Entry

id C00029573
Name Stigmast-4-en-6beta-ol-3-one / 6beta-Hydroxy-4-stigmasten-3-one
CAS RN 36450-02-9
Standard InChI InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/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)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN