PCIDB

KNApSAcK Metabolite C00041663

Metabolite

KNApSAcK Entry

id C00041663
Name Marrulibanoside
CAS RN 72009-99-5
Standard InChI InChI=1S/C20H28O5/c1-12-9-14-16-18(2,17(22)25-14)6-4-7-19(16,3)20(12,23)8-5-13-10-15(21)24-11-13/h10,12,14,16,23H,4-9,11H2,1-3H3/t12-,14-,16+,18+,19+,20-/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H28O5/c1-12-9-14-16-18(2,17(22)25-14)6-4-7-19(16,3)20(12,23)8-5-13-10-15(21)24-11-13/h10,12,14,16,23H,4-9,11H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2028

Link

ChEMBL

By standard InChI CHEMBL1079136
By standard InChI Main Layer CHEMBL1079136

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