Metabolite

KNApSAcK Entry

id C00011778
Name [3aR-[3aR*,4R*(2S*,3S*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-hydroxy-2-(hydroxymethyl)-3-mercapto-butanoic acid
CAS RN 72229-36-8
Standard InChI InChI=1S/C20H28O7S/c1-10-5-14(22)6-11(2)8-16(17-12(3)18(23)26-15(17)7-10)27-19(24)20(25,9-21)13(4)28/h6-7,13-17,21-22,25,28H,3,5,8-9H2,1-2,4H3/b10-7+,11-6+/t13-,14-,15+,16+,17-,20+/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H28O7S/c1-10-5-14(22)6-11(2)8-16(17-12(3)18(23)26-15(17)7-10)27-19(24)20(25,9-21)13(4)28/h6-7,13-17,21-22,25,28H,3,5,8-9H2,1-2,4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1172

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
Eupatorium mikanioides 102776 Asteraceae asterids Viridiplantae