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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:51 UTC
Update Date2025-03-25 00:58:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230668
Frequency0.5
Structure
Chemical FormulaC12H12N2O3
Molecular Mass232.0848
SMILESCN(CC(=O)O)c1cc(=O)c2ccccc2[nH]1
InChI KeyDUEUIJJZTLHXAI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass aminoquinolines and derivatives
Direct Parent aminoquinolines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alpha amino acids
  • aminopyridines and derivatives
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroquinolones
  • hydroxypyridines
  • methylpyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • vinylogous amides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • polyhalopyridine
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • aminopyridine
  • vinylogous amide
  • quinolone
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • dihydroquinoline
  • methylpyridine
  • monocarboxylic acid or derivatives
  • dihydroquinolone
  • pyridine
  • organic oxygen compound
  • aminoquinoline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound