PCIDB

KNApSAcK Metabolite C00038990

Metabolite

KNApSAcK Entry

id C00038990
Name Deoxyjesaconitine
CAS RN 69787-27-5
Standard InChI InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)14-13-22(43-5)34-21-15-33(40)29(46-31(39)19-9-11-20(42-4)12-10-19)23(21)35(47-18(2)37,28(38)30(33)45-7)24(27(34)36)25(44-6)26(32)34/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22+,23-,24?,25+,26-,27?,28+,29-,30+,32+,33-,34?,35-/m1/s1
Standard InChI (Main Layer) InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)14-13-22(43-5)34-21-15-33(40)29(46-31(39)19-9-11-20(42-4)12-10-19)23(21)35(47-18(2)37,28(38)30(33)45-7)24(27(34)36)25(44-6)26(32)34/h9-12,21-30,38,40H,8,13-17H2,1-7H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL247593

KEGG

By LinkDB

CTD

By CAS RN