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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:25 UTC
Update Date2025-03-25 00:47:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158932
Frequency0.5
Structure
Chemical FormulaC16H16N2O2
Molecular Mass268.1212
SMILESOc1ccc2nccc(C(O)C3C=CC4CN3C4)c2c1
InChI KeyPVQQVQNTWLOOJG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass 4-quinolinemethanols
Direct Parent 4-quinolinemethanols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • aromatic alcohols
  • azacyclic compounds
  • azetidines
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • hydroxyquinolines
  • organopnictogen compounds
  • polyhalopyridines
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • tertiary amine
  • alcohol
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • 4-quinolinemethanol
  • azetidine
  • hydroxyquinoline
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound