PCIDB

KNApSAcK Metabolite C00022472

Metabolite

KNApSAcK Entry

id C00022472
Name Villenol acetate
CAS RN 66471-74-7
Standard InChI InChI=1S/C22H36O3/c1-16(11-14-23)7-9-19-17(2)8-10-20-21(4,15-25-18(3)24)12-6-13-22(19,20)5/h8,11,19-20,23H,6-7,9-10,12-15H2,1-5H3/b16-11+/t19-,20-,21+,22+/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H36O3/c1-16(11-14-23)7-9-19-17(2)8-10-20-21(4,15-25-18(3)24)12-6-13-22(19,20)5/h8,11,19-20,23H,6-7,9-10,12-15H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 318

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
Sideritis chamaedrifolia 155237 Lamiaceae asterids Viridiplantae