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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:35 UTC
Update Date2025-03-21 18:33:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00097055
Frequency28.4
Structure
Chemical FormulaC17H12F3N3O2
Molecular Mass347.0882
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc([N+](=O)[O-])cc2)cc1
InChI KeyPFDHKRDNWYVBJD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass pyrazoles
Direct Parent phenylpyrazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • nitrobenzenes
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • allyl-type 1,3-dipolar organic compound
  • organohalogen compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • phenylpyrazole
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • organic oxoazanium
  • nitrobenzene
  • nitroaromatic compound
  • azacycle
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • toluene
  • organic hyponitrite