PCIDB

KNApSAcK Metabolite C00002278

Metabolite

KNApSAcK Entry

id C00002278
Name Belladonnine
CAS RN 510-25-8
Standard InChI InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23-,24?,25-,26?,27-,28-,30+,34+/m1/s1
Standard InChI (Main Layer) InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3

Cluster

Phytochemical cluster No. 1
KCF-S cluster No. 2519

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C10845

CTD

By CAS RN