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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:07 UTC
Update Date2025-03-21 18:06:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00064800
Frequency47.4
Structure
Chemical FormulaC14H16N2O
Molecular Mass228.1263
SMILESCOc1ccc2nccc(C3CCCN3)c2c1
InChI KeyIQPZKDCROIIPJG-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
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organopnictogen compounds
  • polyhalopyridines
  • pyrrolidines
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • pyrrolidine
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • secondary amine
  • pyridine
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine