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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:16 UTC
Update Date2025-03-25 01:00:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02243029
Frequency0.5
Structure
Chemical FormulaC14H14N2O2
Molecular Mass242.1055
SMILESC=CC1=C(C)C(C(=O)c2ccccc2N)NC1=O
InChI KeyXKFJSQJVSYHLBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • aryl alkyl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyrroline carboxylic acids and derivatives
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • lactam
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • benzoyl
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • vinylogous amide
  • azacycle
  • pyrroline carboxylic acid or derivatives
  • carboxamide group
  • secondary carboxylic acid amide
  • pyrroline
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • alkyl-phenylketone