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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:49 UTC
Update Date2025-03-25 01:01:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248967
Frequency0.5
Structure
Chemical FormulaC16H16N2O2
Molecular Mass268.1212
SMILESCOc1ccc2c(NCCO)c3ccccc3nc2c1
InChI KeyTWEJUDUIANJUCC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass benzoquinolines
Direct Parent acridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alcohols and polyols
  • alkanolamines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organopnictogen compounds
  • polyhalopyridines
  • secondary alkylarylamines
    • Substituents
  • acridine
  • phenol ether
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • alkanolamine
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyridine
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound