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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:12 UTC
Update Date2025-03-25 00:50:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183488
Frequency0.5
Structure
Chemical FormulaC16H15NO6S
Molecular Mass349.062
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCc3cc(O)c(O)cc3C2)cc1
InChI KeyKXJMIKVPHCJKOJ-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
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • carboxylic acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • carboxylic acid derivative
  • organosulfonic acid amide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • benzoic acid
  • benzenesulfonyl group
  • benzenesulfonamide
  • azacycle
  • benzoic acid or derivatives
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound