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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:44 UTC
Update Date2025-03-25 00:54:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205222
Frequency0.5
Structure
Chemical FormulaC11H12N2O2
Molecular Mass204.0899
SMILESNCC(O)c1cccc2ccc(=O)[nH]c12
InChI KeyICOUEUPYERPQDC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolones and derivatives
Direct Parent hydroquinolones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroxypyridines
  • lactams
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridinones
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • lactam
  • polyhalopyridine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • dihydroquinoline
  • dihydroquinolone
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • pyridinone
  • organooxygen compound