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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:54 UTC
Update Date2025-03-21 18:02:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00038329
Frequency91.4
Structure
Chemical FormulaC19H16F3N3O4S
Molecular Mass439.0814
SMILESCC(C(=O)O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChI KeyCELCZQUODBJSNQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass pyrazoles
Direct Parent phenylpyrazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • aminosulfonyl compounds
  • aromatic monoterpenoids
  • azacyclic compounds
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • phenylpropanoic acids
    • Substituents
  • monoterpenoid
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • p-cymene
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organosulfonic acid amide
  • phenylpyrazole
  • organic oxide
  • 2-phenylpropanoic-acid
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • benzenesulfonyl group
  • benzenesulfonamide
  • azacycle
  • aminosulfonyl compound
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • aromatic monoterpenoid