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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:27 UTC
Update Date2025-03-25 00:56:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02216224
Frequency0.5
Structure
Chemical FormulaC9H14O5
Molecular Mass202.0841
SMILESCCCCC(=O)OC(C(C)=O)C(=O)O
InChI KeyNAOBQKFOCRBMAM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass short-chain keto acids and derivatives
Direct Parent short-chain keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alpha-acyloxy ketones
  • beta-hydroxy ketones
  • beta-keto acids and derivatives
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • fatty acyl
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-acyloxy ketone
  • short-chain keto acid
  • carboxylic acid derivative
  • beta-keto acid
  • ketone
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound