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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:05 UTC
Update Date2025-03-21 18:36:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112972
Frequency23.5
Structure
Chemical FormulaC10H6F2N2O3
Molecular Mass240.0346
SMILESO=C(O)c1cnc2ccc(OC(F)F)cc2n1
InChI KeyUPWALWXQESOQGN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinoxalines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl fluorides
  • azacyclic compounds
  • carboxylic acids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • phenol ethers
  • pyrazine carboxylic acids
    • Substituents
  • phenol ether
  • carboxylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • quinoxaline
  • azacycle
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrazine
  • pyrazine carboxylic acid
  • pyrazine carboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound