PCIDB

KNApSAcK Metabolite C00000513

Metabolite

KNApSAcK Entry

id C00000513
Name Toddacoumalone
CAS RN 139750-79-1
Standard InChI InChI=1S/C31H31NO6/c1-18(2)15-19-17-31(3,38-29-20-9-7-8-10-23(20)32(4)30(34)27(19)29)14-13-22-25(36-6)16-24(35-5)21-11-12-26(33)37-28(21)22/h7-16,19H,17H2,1-6H3/b14-13+/t19-,31+/m1/s1
Standard InChI (Main Layer) InChI=1S/C31H31NO6/c1-18(2)15-19-17-31(3,38-29-20-9-7-8-10-23(20)32(4)30(34)27(19)29)14-13-22-25(36-6)16-24(35-5)21-11-12-26(33)37-28(21)22/h7-16,19H,17H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 5897

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Rutaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Toddalia asiatica 159068 Rutaceae rosids Viridiplantae