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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:46 UTC
Update Date2025-03-25 00:50:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182551
Frequency0.5
Structure
Chemical FormulaC13H10F9NO2S
Molecular Mass415.0289
SMILESO=S(=O)(N1CCc2ccccc2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyMDONUZCAUDRWBK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl fluorides
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organic sulfonamides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • azacycle
  • alkyl fluoride
  • organofluoride
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic sulfonic acid amide