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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:46 UTC
Update Date2025-03-21 18:36:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112216
Frequency23.7
Structure
Chemical FormulaC13H16O5
Molecular Mass252.0998
SMILESCC1=C(CCC(=O)O)C(=O)C(C)=C1CCC(=O)O
InChI KeyQBYVIAUVOLFHEY-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 homomonocyclic compounds
Alternative Parents
  • carboxylic acids
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • carboxylic acid
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • cyclic ketone
  • organooxygen compound