Metabolite

KNApSAcK Entry

id C00011861
Name (3aR,4R,6E,10E,11aR)-10-[(Acetyloxy)methyl]-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid
CAS RN 72023-26-8
Standard InChI InChI=1S/C22H28O7/c1-5-13(2)21(25)28-18-9-16(11-23)7-6-8-17(12-27-15(4)24)10-19-20(18)14(3)22(26)29-19/h7,10-11,13,18-20H,3,5-6,8-9,12H2,1-2,4H3/b16-7+,17-10+/t13?,18-,19-,20-/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H28O7/c1-5-13(2)21(25)28-18-9-16(11-23)7-6-8-17(12-27-15(4)24)10-19-20(18)14(3)22(26)29-19/h7,10-11,13,18-20H,3,5-6,8-9,12H2,1-2,4H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 211

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