PCIDB

KNApSAcK Metabolite C00027954

Metabolite

KNApSAcK Entry

id C00027954
Name Brachyaconitine
CAS RN 173220-47-8
Standard InChI InChI=1S/C38H53NO11/c1-7-9-11-16-25(41)50-38-26-22(18-36(44,33(48-6)31(38)42)32(26)49-34(43)21-14-12-10-13-15-21)37-24(46-4)17-23(40)35(20-45-3)19-39(8-2)30(37)27(38)28(47-5)29(35)37/h9-15,22-24,26-33,40,42,44H,7-8,16-20H2,1-6H3/b11-9+/t22-,23-,24+,26-,27?,28+,29-,30?,31+,32?,33+,35+,36-,37?,38-/m1/s1
Standard InChI (Main Layer) InChI=1S/C38H53NO11/c1-7-9-11-16-25(41)50-38-26-22(18-36(44,33(48-6)31(38)42)32(26)49-34(43)21-14-12-10-13-15-21)37-24(46-4)17-23(40)35(20-45-3)19-39(8-2)30(37)27(38)28(47-5)29(35)37/h9-15,22-24,26-33,40,42,44H,7-8,16-20H2,1-6H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Brachycaudus aconiti Mordv.