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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:03 UTC
Update Date2025-03-25 00:46:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153625
Frequency0.5
Structure
Chemical FormulaC17H16N2O3
Molecular Mass296.1161
SMILESCOc1ccc(CNc2ccnc3cc(O)ccc23)cc1O
InChI KeyDQQPMDXSORSZLH-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methoxybenzenes
  • methoxyphenols
  • methylpyridines
  • organopnictogen compounds
  • phenoxy compounds
  • polyhalopyridines
  • secondary alkylarylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • methoxybenzene
  • secondary aliphatic/aromatic amine
  • pyridine
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound