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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:09 UTC
Update Date2025-03-25 00:45:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151489
Frequency0.5
Structure
Chemical FormulaC17H15FN2O3S
Molecular Mass346.0787
SMILESN#Cc1ccc2c(c1)C(CCCN)(c1ccc(F)cc1)OS2(=O)=O
InChI KeyYAQXQJWSYZVDSQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl fluorides
  • benzofuranones
  • benzoxathioles
  • fluorobenzenes
  • hydrocarbon derivatives
  • monoalkylamines
  • nitriles
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonic acid esters
  • oxacyclic compounds
  • phthalides
    • Substituents
  • aryl fluoride
  • organosulfonic acid or derivatives
  • nitrile
  • benzofuranone
  • organohalogen compound
  • phthalide
  • fluorobenzene
  • organic oxide
  • phenylbutylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • carbonitrile
  • organoheterocyclic compound
  • benzofuran
  • organofluoride
  • benzoxathiole
  • organosulfonic acid ester
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound