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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:21 UTC
Update Date2025-03-25 01:00:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245594
Frequency0.5
Structure
Chemical FormulaC8H12O5
Molecular Mass188.0685
SMILESCCOC(=O)C(C)(C)C(=O)C(=O)O
InChI KeyIQSBWQIKGZSWIP-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
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • beta-keto acids and derivatives
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • methyl-branched fatty acids
  • organic oxides
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • methyl-branched fatty acid
  • short-chain keto acid
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • branched fatty acid
  • beta-keto acid
  • ketone
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • alpha-keto acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound