Metabolite

KNApSAcK Entry

id C00012130
Name [1aR-(1aR*,5R*,7S*,10aS*,10bR*)]-5-(Acetyloxy)-8-[(acetyloxy)methyl]-2,3,6,7,10a,10b-hexahydro-1a,5-dimethyl-7-(1-oxopropoxy)-oxireno[9,10]cyclodeca[1,2-b]furan-4,9(1aH,5H)-dione
CAS RN 79081-71-3
Standard InChI InChI=1S/C22H28O10/c1-6-16(26)29-14-9-22(5,31-12(3)24)15(25)7-8-21(4)19(32-21)18-17(14)13(20(27)30-18)10-28-11(2)23/h14,18-19H,6-10H2,1-5H3/t14-,18-,19+,21+,22+/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H28O10/c1-6-16(26)29-14-9-22(5,31-12(3)24)15(25)7-8-21(4)19(32-21)18-17(14)13(20(27)30-18)10-28-11(2)23/h14,18-19H,6-10H2,1-5H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 903

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
Vernonia scorpioides 13753 Asteraceae asterids Viridiplantae