PCIDB

KNApSAcK Metabolite C00001660

Metabolite

KNApSAcK Entry

id C00001660
Name Pseudaconitine
CAS RN 127-29-7
Standard InChI InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27+,28+,29-,30?,31-,33?,34+,35-,36+/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL509646

KEGG

By LinkDB C08704

CTD

By CAS RN