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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:40 UTC
Update Date2025-03-25 00:47:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159475
Frequency0.5
Structure
Chemical FormulaC14H13NO3
Molecular Mass243.0895
SMILESO=CC=C1CCC(=O)N1C(=O)Cc1ccccc1
InChI KeyOGZOMIZRACHUAE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetamides
Direct Parent phenylacetamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aldehydes
  • azacyclic compounds
  • carboxylic acids and derivatives
  • dicarboximides
  • hydrocarbon derivatives
  • n-acylpyrrolidines
  • n-substituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • n-acylpyrrolidine
  • aldehyde
  • carboxylic acid derivative
  • carboxylic acid imide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • dicarboximide
  • organic nitrogen compound
  • pyrrolidine
  • carboxylic acid imide, n-substituted
  • pyrrolidone
  • phenylacetamide
  • organoheterocyclic compound
  • organooxygen compound