PCIDB

KNApSAcK Metabolite C00022391

Metabolite

KNApSAcK Entry

id C00022391
Name Ballotinone / 7-Oxomarrubiin
CAS RN 61289-05-2
Standard InChI InChI=1S/C20H26O5/c1-12-14(21)15-16-18(2,17(22)25-15)7-4-8-19(16,3)20(12,23)9-5-13-6-10-24-11-13/h6,10-12,15-16,23H,4-5,7-9H2,1-3H3/t12-,15-,16+,18+,19+,20-/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H26O5/c1-12-14(21)15-16-18(2,17(22)25-15)7-4-8-19(16,3)20(12,23)9-5-13-6-10-24-11-13/h6,10-12,15-16,23H,4-5,7-9H2,1-3H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 874

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
Ballota nigra 194200 Lamiaceae asterids Viridiplantae