PCIDB

KNApSAcK Metabolite C00001648

Metabolite

KNApSAcK Entry

id C00001648
Name Jesaconitine
CAS RN 16298-90-1
Standard InChI InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21-,22+,23-,24+,25+,26-,27?,28+,29-,30+,32?,33-,34+,35-/m1/s1
Standard InChI (Main Layer) InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 138

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08692

CTD

By CAS RN C069418