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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:57 UTC
Update Date2025-03-25 00:51:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185183
Frequency0.5
Structure
Chemical FormulaC9H7FN2O
Molecular Mass178.0542
SMILESNC(=O)c1c[nH]c2ccc(F)cc12
InChI KeyGXSNICHQWUUDOK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indolecarboxylic acids and derivatives
Direct Parent indolecarboxamides and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl fluorides
  • azacyclic compounds
  • benzenoids
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • pyrrole carboxamides
  • vinylogous amides
  • Substituents
  • aryl fluoride
  • primary carboxylic acid amide
  • indolecarboxamide derivative
  • pyrrole-3-carboxylic acid or derivatives
  • indole
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • pyrrole-3-carboxamide
  • organopnictogen compound
  • vinylogous amide
  • azacycle
  • organofluoride
  • heteroaromatic compound
  • carboxamide group
  • aryl halide
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound