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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:40 UTC
Update Date2025-03-21 18:37:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116811
Frequency22.5
Structure
Chemical FormulaC16H18N2O2
Molecular Mass270.1368
SMILESCOc1ccc2ncc3c(c2c1)C(O)C1CC3CN1C
InChI KeyVHAXZZVROIMCPZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass benzoquinolines
Direct Parent phenanthridines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 2-halopyridines
  • 4-quinolinemethanols
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • azepines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • polyhalopyridines
  • secondary alcohols
  • trialkylamines
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • pyrrolidine
  • tertiary amine
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • methylpyridine
  • 4-quinolinemethanol
  • pyridine
  • organic oxygen compound
  • azepine
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenanthridine
  • organic nitrogen compound
  • amine
  • organooxygen compound