Metabolite

KNApSAcK Entry

id C00011888
Name [3aS-(3aR*,4S*,6R*,9S*,10R*,11aS*)]-9-Ethoxydodecahydro-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-propanoic acid
CAS RN 56377-68-5
Standard InChI InChI=1S/C21H32O6/c1-7-24-21-9-8-20(6,27-21)11-16(26-18(22)12(2)3)17-14(5)19(23)25-15(17)10-13(21)4/h12-13,15-17H,5,7-11H2,1-4,6H3/t13-,15+,16+,17-,20-,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H32O6/c1-7-24-21-9-8-20(6,27-21)11-16(26-18(22)12(2)3)17-14(5)19(23)25-15(17)10-13(21)4/h12-13,15-17H,5,7-11H2,1-4,6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2080

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
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Tithonia rotundifolia 105388 Asteraceae asterids Viridiplantae