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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:44 UTC
Update Date2025-03-25 00:49:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177944
Frequency0.5
Structure
Chemical FormulaC16H14N2O
Molecular Mass250.1106
SMILESCc1ccc(-c2c(N)[nH]c3ccccc3c2=O)cc1
InChI KeyPOXUHCNWZCEATP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass phenylquinolines
Direct Parent phenylquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroquinolones
  • methylpyridines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • toluenes
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • phenylquinoline
  • polyhalopyridine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • dihydroquinoline
  • methylpyridine
  • dihydroquinolone
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • toluene
  • amine
  • organooxygen compound