Metabolite

KNApSAcK Entry

id C00012230
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 octadecanoic acid
CAS RN 72023-22-4
Standard InChI InChI=1S/C38H60O8/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33(41)45-35-31(27-40)23-21-22-30(26-39)25-32-34(29(4)38(43)44-32)36(35)46-37(42)28(3)6-2/h23,25,27-28,32,34-36,39H,4-22,24,26H2,1-3H3/b30-25+,31-23-
Standard InChI (Main Layer) InChI=1S/C38H60O8/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33(41)45-35-31(27-40)23-21-22-30(26-39)25-32-34(29(4)38(43)44-32)36(35)46-37(42)28(3)6-2/h23,25,27-28,32,34-36,39H,4-22,24,26H2,1-3H3

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