PCIDB

KNApSAcK Metabolite C00027593

Metabolite

KNApSAcK Entry

id C00027593
Name Simulansamide
CAS RN 176713-29-4
Standard InChI InChI=1S/C22H23NO6/c1-23(12-24)20-14(15-8-9-17(26-2)22(29-5)21(15)25)7-6-13-10-18(27-3)19(28-4)11-16(13)20/h6-12,25H,1-5H3
Standard InChI (Main Layer) InChI=1S/C22H23NO6/c1-23(12-24)20-14(15-8-9-17(26-2)22(29-5)21(15)25)7-6-13-10-18(27-3)19(28-4)11-16(13)20/h6-12,25H,1-5H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 195

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
Zanthoxylum simulans 328402 Rutaceae rosids Viridiplantae