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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:39:45 UTC
Update Date2025-03-24 22:10:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02014080
Frequency0.6
Structure
Chemical FormulaC4H4O4
Molecular Mass116.011
SMILESO=CC(=O)C(O)C=O
InChI KeyJWBVDBDNUQOADG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta ketoaldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • acyloins
  • alpha ketoaldehydes
  • alpha-hydroxy ketones
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • short-chain aldehydes
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • short-chain aldehyde
  • beta-ketoaldehyde
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • alpha-hydroxyaldehyde
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • alpha-ketoaldehyde