PCIDB

KNApSAcK Metabolite C00001873

Metabolite

KNApSAcK Entry

id C00001873
Name Isothebaine
CAS RN 568-21-8
Standard InChI InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1
Standard InChI (Main Layer) InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 20

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C09550

CTD

By CAS RN C111588