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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:41 UTC
Update Date2025-03-25 00:47:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163977
Frequency0.5
Structure
Chemical FormulaC13H16O3
Molecular Mass220.1099
SMILESCC1=CC(=O)C(C)C1C=CC1CCC(=O)O1
InChI KeyKOUQKTXUUQKNJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carboxylic acid esters
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • tetrahydrofuran
  • cyclic ketone
  • carboxylic acid derivative
  • gamma butyrolactone
  • ketone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound