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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:05 UTC
Update Date2025-03-25 00:46:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153689
Frequency0.5
Structure
Chemical FormulaC10H13NO3S
Molecular Mass227.0616
SMILESCS(=O)(=O)N1CCc2ccc(O)cc2C1
InChI KeyFFLXLEUTTHDLBC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organic sulfonamides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic sulfonic acid amide
  • organooxygen compound