Met003717: 1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Metabolite Information
Name
1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
IUPAC Name
[(2E,5E)-7-hydroxy-3,7-dimethyl-4-oxoocta-2,5-dienyl] acetate
Molecular Formula
C12H18O4
Molecular Weight
226.27
Exact Mass
226.1205091
SMILES
CC(=CCOC(=O)C)C(=O)C=CC(C)(C)O
InChIKey
UQVOYRKLYJVPHW-PDTNFJSOSA-N
InChI
InChI=1S/C12H18O4/c1-9(6-8-16-10(2)13)11(14)5-7-12(3,4)15/h5-7,15H,8H2,1-4H3/b7-5+,9-6+
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Fatty Acyls
Subclass:
Fatty alcohol esters
Crops containing this metabolite
maize
medicago
sweet_potato
wheat
s_miltiorrhiza
leonurus
chestnut
cowpea
cucumber
kidney_bean
mung_bean
okra
peanut
medicago
sweet_potato
wheat
s_miltiorrhiza
leonurus
chestnut
cowpea
cucumber
kidney_bean
mung_bean
okra
peanut
Metabolite Spectrum Accession Label