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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:37 UTC
Update Date2025-03-25 00:53:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202636
Frequency0.5
Structure
Chemical FormulaC14H5F15O4S
Molecular Mass553.9669
SMILESO=C(O)c1ccccc1S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyYVWQNRSABMUOPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • alkyl fluorides
  • benzenesulfonyl compounds
  • benzoyl derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organooxygen compounds
  • sulfones
    • Substituents
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • benzoyl
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • organooxygen compound
  • sulfone
  • benzenesulfonyl group