Met009362: 15-OxoEDE
Metabolite Information
Name
15-OxoEDE
IUPAC Name
(11Z,13E)-15-oxoicosa-11,13-dienoic acid
Molecular Formula
C20H34O3
Molecular Weight
322.5
Exact Mass
322.2507949
SMILES
CCCCCC(=O)C=CC=CCCCCCCCCCC(=O)O
InChIKey
QZCMHXPXGACWLJ-QWAPPMFBSA-N
InChI
InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+
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 acids and conjugates
Crops containing this metabolite
s_miltiorrhiza
Metabolite Spectrum Accession Label