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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:35:21 UTC
Update Date2025-03-24 21:14:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01718941
Frequency0.7
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESCOC(=O)C(=O)C(C)C=O
InChI KeyIRNUSAAJYXMNFW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alpha-keto acids and derivatives
  • beta ketoaldehydes
  • hydrocarbon derivatives
  • ketones
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • beta-ketoaldehyde
  • aldehyde
  • carboxylic acid derivative
  • ketone
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • keto acid
  • carboxylic acid ester
  • alpha-keto acid
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound