PCIDB

KNApSAcK Metabolite C00025165

Metabolite

KNApSAcK Entry

id C00025165
Name Diaboline
CAS RN 509-40-0
Standard InChI InChI=1S/C21H24N2O3/c1-12(24)23-16-5-3-2-4-15(16)21-7-8-22-11-13-6-9-26-20(25)18(19(21)23)14(13)10-17(21)22/h2-6,14,17-20,25H,7-11H2,1H3/t14-,17-,18+,19-,20+,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H24N2O3/c1-12(24)23-16-5-3-2-4-15(16)21-7-8-22-11-13-6-9-26-20(25)18(19(21)23)14(13)10-17(21)22/h2-6,14,17-20,25H,7-11H2,1H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 672

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1969794

KEGG

By LinkDB

CTD

By CAS RN