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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:00 UTC
Update Date2025-03-21 18:04:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00052798
Frequency61.5
Structure
Chemical FormulaC7H12O4
Molecular Mass160.0736
SMILESCCCOC(=O)C(C)C(=O)O
InChI KeyDGEOCCNLLMOSEN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass dicarboxylic acids and derivatives
Direct Parent dicarboxylic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • carboxylic acid
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound