PCIDB

KNApSAcK Metabolite C00023347

Metabolite

KNApSAcK Entry

id C00023347
Name (13S)-Premarrubiin
CAS RN 72059-02-0
Standard InChI InChI=1S/C20H28O4/c1-13-11-14-15-17(2,16(21)23-14)5-4-6-18(15,3)20(13)8-7-19(24-20)9-10-22-12-19/h9-10,13-15H,4-8,11-12H2,1-3H3/t13-,14-,15?,17+,18+,19+,20-/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H28O4/c1-13-11-14-15-17(2,16(21)23-14)5-4-6-18(15,3)20(13)8-7-19(24-20)9-10-22-12-19/h9-10,13-15H,4-8,11-12H2,1-3H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 689

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

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