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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:44 UTC
Update Date2025-03-25 00:49:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02173284
Frequency0.5
Structure
Chemical FormulaC14H18N2O4
Molecular Mass278.1267
SMILESCCC(O)=NC(CCC(=O)c1ccccc1N)C(=O)O
InChI KeyWDJQZTRMTXUFQM-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
  • alpha amino acids
  • amino acids
  • amino fatty acids
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carbocyclic fatty acids
  • carboximidic acids
  • carboxylic acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenylbutylamines
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • vinylogous amides
    • Substituents
  • fatty acyl
  • carbocyclic fatty acid
  • carboximidic acid
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • fatty acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • phenylbutylamine
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • vinylogous amide
  • organic 1,3-dipolar compound
  • amino fatty acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • alkyl-phenylketone