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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:00 UTC
Update Date2025-03-25 00:49:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171608
Frequency0.5
Structure
Chemical FormulaC13H18N2O2
Molecular Mass234.1368
SMILESCN(CC1CCC(=O)N1C)c1ccc(O)cc1
InChI KeyFDAZXQXHEPASFR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent dialkylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • amino acids and derivatives
  • aniline and substituted anilines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
  • p-aminophenols
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organopnictogen compound
  • dialkylarylamine
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • aniline or substituted anilines
  • aminophenol
  • carboxamide group
  • organic oxygen compound
  • p-aminophenol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound