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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:40:08 UTC
Update Date2025-03-25 01:08:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02292921
Frequency0.5
Structure
Chemical FormulaC5H6O4
Molecular Mass130.0266
SMILESC=COC(C=O)C(=O)O
InChI KeyMRPUQDBVZQPUSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • short-chain aldehydes
    • Substituents
  • aliphatic acyclic compound
  • short-chain aldehyde
  • carboxylic acid
  • aldehyde
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound