PCIDB

KNApSAcK Metabolite C00003599

Metabolite

KNApSAcK Entry

id C00003599
Name Adonitoxin
CAS RN 17651-61-5
Standard InChI InChI=1S/C29H42O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-8-28(13-30)16(10-17)3-4-19-18(28)6-7-27(2)22(15-9-21(32)37-12-15)20(31)11-29(19,27)36/h9,13-14,16-20,22-26,31,33-36H,3-8,10-12H2,1-2H3/t14?,16-,17+,18+,19-,20+,22+,23+,24+,25?,26+,27-,28-,29+/m1/s1
Standard InChI (Main Layer) InChI=1S/C29H42O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-8-28(13-30)16(10-17)3-4-19-18(28)6-7-27(2)22(15-9-21(32)37-12-15)20(31)11-29(19,27)36/h9,13-14,16-20,22-26,31,33-36H,3-8,10-12H2,1-2H3

Cluster

Phytochemical cluster No. 56
KCF-S cluster No. 109

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08843

CTD

By CAS RN C013392