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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:29 UTC
Update Date2025-03-25 00:55:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211690
Frequency0.5
Structure
Chemical FormulaC12H16N2O3
Molecular Mass236.1161
SMILESCC(=O)NCCC(=O)c1c(C)ccc(O)c1N
InChI KeyZAOVNBOQAPUFSE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetamides
  • amino acids and derivatives
  • aryl alkyl ketones
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • para cresols
  • primary amines
  • secondary carboxylic acid amides
  • toluenes
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • amino acid or derivatives
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • p-cresol
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • vinylogous amide
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • toluene
  • amine
  • alkyl-phenylketone