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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:38 UTC
Update Date2025-03-25 00:48:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170729
Frequency0.5
Structure
Chemical FormulaC8H10O4
Molecular Mass170.0579
SMILESCOC(=O)C1CCC(O)=CC1=O
InChI KeyVEMOWPUMTZGSFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • vinylogous acids
    • Substituents
  • cyclohexenone
  • carboxylic acid derivative
  • vinylogous acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • carboxylic acid ester
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound