PCIDB

KNApSAcK Metabolite C00024288

Metabolite

KNApSAcK Entry

id C00024288
Name Ajmalimine / 17-O-(3',4'5'-Trimethoxybenzoyl)ajmaline / Ajmaline 17-O-(3',4',5'-trimethoxybenzoate)
CAS RN 59846-31-0
Standard InChI InChI=1S/C30H36N2O6/c1-6-16-17-13-20-26-30(18-9-7-8-10-19(18)31(26)2)14-21(32(20)28(16)33)24(17)27(30)38-29(34)15-11-22(35-3)25(37-5)23(12-15)36-4/h7-12,16-17,20-21,24,26-28,33H,6,13-14H2,1-5H3/t16-,17-,20-,21-,24?,26-,27+,28+,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H36N2O6/c1-6-16-17-13-20-26-30(18-9-7-8-10-19(18)31(26)2)14-21(32(20)28(16)33)24(17)27(30)38-29(34)15-11-22(35-3)25(37-5)23(12-15)36-4/h7-12,16-17,20-21,24,26-28,33H,6,13-14H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1568

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN