Metabolite

KNApSAcK Entry

id C00012229
Name 6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester hexadecanoic acid
CAS RN 72023-21-3
Standard InChI InChI=1S/C36H56O8/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22-31(39)43-33-29(25-38)21-19-20-28(24-37)23-30-32(27(4)36(41)42-30)34(33)44-35(40)26(3)6-2/h21,23,25-26,30,32-34,37H,4-20,22,24H2,1-3H3/b28-23+,29-21-
Standard InChI (Main Layer) InChI=1S/C36H56O8/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22-31(39)43-33-29(25-38)21-19-20-28(24-37)23-30-32(27(4)36(41)42-30)34(33)44-35(40)26(3)6-2/h21,23,25-26,30,32-34,37H,4-20,22,24H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2980

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
Acanthospermum hispidum 182999 Asteraceae asterids Viridiplantae