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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:26 UTC
Update Date2025-03-25 00:52:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195330
Frequency0.5
Structure
Chemical FormulaC12H13NO2
Molecular Mass203.0946
SMILESCC1C(=O)NC(Cc2ccccc2)C1=O
InChI KeyAXWMSYSZBUVCFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • carboxylic acids and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • pyrrolidine-3-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • 3-pyrrolidone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound