PCIDB

KNApSAcK Metabolite C00041859

Metabolite

KNApSAcK Entry

id C00041859
Name Secaubryenol / (+)-Secaubryenol
CAS RN 925932-08-7
Standard InChI InChI=1S/C30H48O3/c1-20(2)8-7-9-21(3)23-12-14-28(6)25-11-10-24(22(4)18-31)29(15-13-26(32)33)19-30(25,29)17-16-27(23,28)5/h8,21,23-25,31H,4,7,9-19H2,1-3,5-6H3,(H,32,33)/t21-,23-,24+,25+,27-,28+,29-,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H48O3/c1-20(2)8-7-9-21(3)23-12-14-28(6)25-11-10-24(22(4)18-31)29(15-13-26(32)33)19-30(25,29)17-16-27(23,28)5/h8,21,23-25,31H,4,7,9-19H2,1-3,5-6H3,(H,32,33)

Cluster

Phytochemical cluster
KCF-S cluster No. 831

Link

ChEMBL

By standard InChI CHEMBL552273
By standard InChI Main Layer CHEMBL523126 CHEMBL552273

KEGG

By LinkDB

CTD

By CAS RN