PCIDB

KNApSAcK Metabolite C00022294

Metabolite

KNApSAcK Entry

id C00022294
Name Marrubenol
CAS RN 560-58-7
Standard InChI InChI=1S/C20H32O4/c1-14-11-16(22)17-18(2,13-21)7-4-8-19(17,3)20(14,23)9-5-15-6-10-24-12-15/h6,10,12,14,16-17,21-23H,4-5,7-9,11,13H2,1-3H3/t14-,16-,17?,18-,19+,20-/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H32O4/c1-14-11-16(22)17-18(2,13-21)7-4-8-19(17,3)20(14,23)9-5-15-6-10-24-12-15/h6,10,12,14,16-17,21-23H,4-5,7-9,11,13H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1134

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL389065

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Marrubium vulgare 41230 Lamiaceae asterids Viridiplantae