PCIDB

KNApSAcK Metabolite C00041110

Metabolite

KNApSAcK Entry

id C00041110
Name Samarcandone
CAS RN 28699-17-4
Standard InChI InChI=1S/C24H30O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-19,27H,9-12,14H2,1-4H3/t18-,19+,23-,24+/m0/s1
Standard InChI (Main Layer) InChI=1S/C24H30O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-19,27H,9-12,14H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 209

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL178013

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ferula sinaica 52470 Apiaceae asterids Viridiplantae