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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:51 UTC
Update Date2025-03-25 00:59:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239747
Frequency0.5
Structure
Chemical FormulaC13H10N2O4
Molecular Mass258.0641
SMILESO=C1Nc2ccccc2C1=C1CC(C(=O)O)C(=O)N1
InChI KeyUMNNKHAWEDWCQJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • benzenoids
  • carboxylic acids
  • hydrocarbon derivatives
  • indolines
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine carboxylic acids
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid
  • indole
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • dihydroindole
  • pyrrolidone
  • vinylogous amide
  • azacycle
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound