PCIDB

KNApSAcK Metabolite C00002096

Metabolite

KNApSAcK Entry

id C00002096
Name Jacobine
CAS RN 6870-67-3
Standard InChI InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1
Standard InChI (Main Layer) InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3

Cluster

Phytochemical cluster No. 2
KCF-S cluster No. 1066

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1969622

KEGG

By LinkDB C10339

CTD

By CAS RN C013581