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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:58 UTC
Update Date2025-03-21 18:41:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134014
Frequency18.8
Structure
Chemical FormulaC12H13NO5
Molecular Mass251.0794
SMILESCC(=O)OC(CC(=O)c1ccccc1N)C(=O)O
InChI KeyKSAQVFOPNUXYQI-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
  • amino acids
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • vinylogous amide
  • gamma-keto acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • keto acid
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • alkyl-phenylketone