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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:44 UTC
Update Date2025-03-25 00:48:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166442
Frequency0.5
Structure
Chemical FormulaC9H14O5
Molecular Mass202.0841
SMILESCC(=O)OC(C(=O)O)C(=O)CC(C)C
InChI KeyGAWGYKSIHYXGKZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass medium-chain keto acids and derivatives
Direct Parent medium-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
  • branched fatty acids
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acyls
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • fatty acyl
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-acyloxy ketone
  • carboxylic acid derivative
  • branched fatty acid
  • beta-keto acid
  • ketone
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound
  • medium-chain keto acid