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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:34 UTC
Update Date2025-03-25 00:51:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184320
Frequency0.5
Structure
Chemical FormulaC10H9F3N2O4
Molecular Mass278.0514
SMILESNC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)C(F)(F)F
InChI KeyXSGVAUDAYXFAMA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenethylamines
Direct Parent amphetamines and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl fluorides
  • alpha-haloketones
  • hydrocarbon derivatives
  • monoalkylamines
  • nitroaromatic compounds
  • nitrobenzenes
  • nitrophenols
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • allyl-type 1,3-dipolar organic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • alpha-haloketone
  • alkyl halide
  • organic oxoazanium
  • nitrophenol
  • amphetamine or derivatives
  • nitrobenzene
  • nitroaromatic compound
  • alkyl fluoride
  • organofluoride
  • organic 1,3-dipolar compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite