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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:32:46 UTC
Update Date2025-03-21 18:45:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00140419
Frequency17.7
Structure
Chemical FormulaC4H6O4
Molecular Mass118.0266
SMILESCOC(=O)C(O)C=O
InChI KeyJTCRNBJHUIEKQS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alpha-hydroxyaldehydes
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • short-chain aldehydes
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • short-chain aldehyde
  • monosaccharide
  • aldehyde
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • alpha-hydroxyaldehyde
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound