Metabolite

KNApSAcK Entry

id C00012297
Name 9alpha-Acetoxymelnerin A / [3aS-(3aR*,4R*,5R*,6E,10R*,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,8,9,10,11,11a-decahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxopropoxy)-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
CAS RN 74562-62-2
Standard InChI InChI=1S/C22H30O9/c1-11(2)20(25)31-19-17-12(3)21(26)30-16(17)9-14(10-23)7-6-8-15(22(27)28-5)18(19)29-13(4)24/h8,11,14,16-19,23H,3,6-7,9-10H2,1-2,4-5H3/b15-8+/t14?,16-,17+,18+,19+/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H30O9/c1-11(2)20(25)31-19-17-12(3)21(26)30-16(17)9-14(10-23)7-6-8-15(22(27)28-5)18(19)29-13(4)24/h8,11,14,16-19,23H,3,6-7,9-10H2,1-2,4-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2625

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
Melampodium leucanthum 183048 Asteraceae asterids Viridiplantae