Metabolite

KNApSAcK Entry

id C00012298
Name 9alpha-Acetoxymelnerin B / [3aS-[3aR*,4R*(S*),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-oxobutoxy)-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
CAS RN 74562-66-6
Standard InChI InChI=1S/C23H32O9/c1-6-12(2)21(26)32-20-18-13(3)22(27)31-17(18)10-15(11-24)8-7-9-16(23(28)29-5)19(20)30-14(4)25/h9,12,15,17-20,24H,3,6-8,10-11H2,1-2,4-5H3/b16-9+/t12-,15?,17-,18+,19+,20+/m1/s1
Standard InChI (Main Layer) InChI=1S/C23H32O9/c1-6-12(2)21(26)32-20-18-13(3)22(27)31-17(18)10-15(11-24)8-7-9-16(23(28)29-5)19(20)30-14(4)25/h9,12,15,17-20,24H,3,6-8,10-11H2,1-2,4-5H3

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