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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:34 UTC
Update Date2025-03-21 18:34:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00099439
Frequency27.6
Structure
Chemical FormulaC13H9NO2
Molecular Mass211.0633
SMILESOc1ccc2c(cnc3cc(O)ccc32)c1
InChI KeyXSLIOUGJHDGHTB-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-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • isoquinolines and derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • Substituents
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • isoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • phenanthridine
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound