PCIDB

KNApSAcK Metabolite C00033162

Metabolite

KNApSAcK Entry

id C00033162
Name Marrubinone B / (+)-Marrubinone B:Polyodonin
CAS RN 170384-78-8
Standard InChI InChI=1S/C20H26O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)10-14(21)19(25-20)7-8-23-11-19/h7-8,12-13,15H,4-6,9-11H2,1-3H3/t12-,13-,15+,17+,18+,19-,20-/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H26O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)10-14(21)19(25-20)7-8-23-11-19/h7-8,12-13,15H,4-6,9-11H2,1-3H3

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 globosum ssp. globosum 41229 Lamiaceae asterids Viridiplantae