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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:00 UTC
Update Date2025-03-25 00:58:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233262
Frequency0.5
Structure
Chemical FormulaC19H23N3O3
Molecular Mass341.1739
SMILESCOc1ccc2nccc(CC3N=C(O)C(CC(C)C)N=C3O)c2c1
InChI KeyDHYGUMZCZPHCAL-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
  • cyclic carboximidic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • organic 1,3-dipolar compound
  • pyridine
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound