Metabolite

KNApSAcK Entry

id C00012283
Name [3aS-[3aR*,4R*(Z),5R*,6E,11R*,11aR*]]-11-(Acetyloxy)-4-[[2-[(acetyloxy)methyl]-1-oxo-2-butenyl]oxy]-2,3,3a,4,5,8,9,10,11,11a-decahydro-3,10-bis(methylene)-5-(2-methyl-1-oxopropoxy)-2-oxo-, methyl ester cyclodeca[b]furan-6-carboxylic acid
CAS RN 71138-42-6
Standard InChI InChI=1S/C29H36O12/c1-9-19(13-37-17(6)30)28(34)41-25-21-16(5)27(33)40-24(21)22(38-18(7)31)15(4)11-10-12-20(29(35)36-8)23(25)39-26(32)14(2)3/h9,12,14,21-25H,4-5,10-11,13H2,1-3,6-8H3/b19-9?,20-12+
Standard InChI (Main Layer) InChI=1S/C29H36O12/c1-9-19(13-37-17(6)30)28(34)41-25-21-16(5)27(33)40-24(21)22(38-18(7)31)15(4)11-10-12-20(29(35)36-8)23(25)39-26(32)14(2)3/h9,12,14,21-25H,4-5,10-11,13H2,1-3,6-8H3

Cluster

Phytochemical cluster
KCF-S cluster No. 8269

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
Tetragonotheca repanda 183089 Asteraceae asterids Viridiplantae