PCIDB

KNApSAcK Metabolite C00022390

Metabolite

KNApSAcK Entry

id C00022390
Name 7-Acetoxymarrubin
CAS RN 63028-21-7
Standard InChI InChI=1S/C22H30O6/c1-13-16(27-14(2)23)17-18-20(3,19(24)28-17)8-5-9-21(18,4)22(13,25)10-6-15-7-11-26-12-15/h7,11-13,16-18,25H,5-6,8-10H2,1-4H3/t13-,16+,17-,18+,20+,21+,22-/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H30O6/c1-13-16(27-14(2)23)17-18-20(3,19(24)28-17)8-5-9-21(18,4)22(13,25)10-6-15-7-11-26-12-15/h7,11-13,16-18,25H,5-6,8-10H2,1-4H3

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