PCIDB

KNApSAcK Metabolite C00027045

Metabolite

KNApSAcK Entry

id C00027045
Name Alstonerinal / (-)-Alstonerinal
CAS RN 158725-12-3
Standard InChI InChI=1S/C21H24N2O2/c1-12-16(10-24)14-8-20-21-15(9-19(22(20)2)17(14)11-25-12)13-6-4-5-7-18(13)23(21)3/h4-7,10,14,17,19-20H,8-9,11H2,1-3H3/t14-,17+,19-,20-/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H24N2O2/c1-12-16(10-24)14-8-20-21-15(9-19(22(20)2)17(14)11-25-12)13-6-4-5-7-18(13)23(21)3/h4-7,10,14,17,19-20H,8-9,11H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1205

Link

ChEMBL

By standard InChI CHEMBL2332138
By standard InChI Main Layer CHEMBL2332138

KEGG

By LinkDB

CTD

By CAS RN