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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:52 UTC
Update Date2025-03-25 00:52:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194057
Frequency0.5
Structure
Chemical FormulaC14H16N2O
Molecular Mass228.1263
SMILESCN1CCCC1c1ccnc2cc(O)ccc12
InChI KeyFMGRDXGHROLIBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolines and derivatives
Direct Parent quinolines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • n-alkylpyrrolidines
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • trialkylamines
  • Substituents
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aralkylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • pyrrolidine
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • methylpyridine
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound