PCIDB

KNApSAcK Metabolite C00001612

Metabolite

KNApSAcK Entry

id C00001612
Name Ajaconine
CAS RN 545-61-9
Standard InChI InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21/h14-19,24-25H,1,3-12H2,2H3/t14-,15+,16-,17+,18+,19?,20-,21-,22+/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21/h14-19,24-25H,1,3-12H2,2H3

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 274

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08656

CTD

By CAS RN