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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:49 UTC
Update Date2025-03-25 01:01:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251297
Frequency0.5
Structure
Chemical FormulaC17H13FN2O2
Molecular Mass296.0961
SMILESOC(=Nc1ccccc1O)c1c[nH]cc1-c1ccc(F)cc1
InChI KeyPAMHHBCUXSQLII-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent fluorobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl fluorides
  • azacyclic compounds
  • carboximidic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organofluorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • aryl fluoride
  • carboximidic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • fluorobenzene
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • organofluoride
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • organic oxygen compound
  • pyrrole
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound