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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:11 UTC
Update Date2025-03-25 00:51:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190318
Frequency0.5
Structure
Chemical FormulaC12H13NO5
Molecular Mass251.0794
SMILESCC(=O)C(CC(=O)c1cc(O)ccc1N)C(=O)O
InChI KeyKHPZDJGDGJUMCM-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
  • 1,3-dicarbonyl compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • amino acids
  • aryl alkyl ketones
  • benzoyl derivatives
  • beta-hydroxy ketones
  • beta-keto acids and derivatives
  • butyrophenones
  • carboxylic acids
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • vinylogous amides
    • Substituents
  • beta-hydroxy ketone
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • beta-keto acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • vinylogous amide
  • gamma-keto acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • keto acid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • amine
  • alkyl-phenylketone