PCIDB

KNApSAcK Metabolite C00032365

Metabolite

KNApSAcK Entry

id C00032365
Name Totaradiol / 3beta-Hydroxytotarol
CAS RN 3772-56-3
Standard InChI InChI=1S/C20H30O2/c1-12(2)18-13-6-9-16-19(3,4)17(22)10-11-20(16,5)14(13)7-8-15(18)21/h7-8,12,16-17,21-22H,6,9-11H2,1-5H3/t16-,17-,20+/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H30O2/c1-12(2)18-13-6-9-16-19(3,4)17(22)10-11-20(16,5)14(13)7-8-15(18)21/h7-8,12,16-17,21-22H,6,9-11H2,1-5H3

Cluster

Phytochemical cluster No. 40
KCF-S cluster No. 359

Link

ChEMBL

By standard InChI CHEMBL446064
By standard InChI Main Layer CHEMBL446064

KEGG

By LinkDB

CTD

By CAS RN