PCIDB

KNApSAcK Metabolite C00041662

Metabolite

KNApSAcK Entry

id C00041662
Name Marrulanic acid / (-)-Marrulanic acid
CAS RN 887610-70-0
Standard InChI InChI=1S/C18H28O5/c1-11-10-12-14-16(2,15(21)23-12)7-5-8-17(14,3)18(11,22)9-4-6-13(19)20/h11-12,14,22H,4-10H2,1-3H3,(H,19,20)/t11-,12-,14+,16+,17+,18-/m1/s1
Standard InChI (Main Layer) InChI=1S/C18H28O5/c1-11-10-12-14-16(2,15(21)23-12)7-5-8-17(14,3)18(11,22)9-4-6-13(19)20/h11-12,14,22H,4-10H2,1-3H3,(H,19,20)

Cluster

Phytochemical cluster
KCF-S cluster No. 2028

Link

ChEMBL

By standard InChI CHEMBL1077925
By standard InChI Main Layer CHEMBL1077925

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.libanoticum 41229 Lamiaceae asterids Viridiplantae