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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:36 UTC
Update Date2025-03-21 18:39:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123712
Frequency20.8
Structure
Chemical FormulaC13H13N2O2+
Molecular Mass229.0972
SMILESC[n+]1cccc(C(=O)Nc2ccc(O)cc2)c1
InChI KeyZPDKEKKUMNDYDV-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent aromatic anilides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • n-methylpyridinium compounds
  • nicotinamides
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyridinecarboxylic acids and derivatives
  • secondary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • pyridine carboxylic acid or derivatives
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • nicotinamide
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic anilide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organoheterocyclic compound
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • carboxamide group
  • secondary carboxylic acid amide
  • pyridine
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound