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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:33 UTC
Update Date2025-03-25 00:50:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179754
Frequency0.5
Structure
Chemical FormulaC11H11NO3S
Molecular Mass237.046
SMILESCS(=O)(=O)Nc1cccc2c(O)cccc12
InChI KeyYKCHZHCCPAEVIN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthols and derivatives
Direct Parent naphthols and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aminosulfonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic sulfonamides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • sulfanilides
    • Substituents
  • organosulfonic acid or derivatives
  • aminosulfonyl compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • organosulfur compound
  • organosulfonic acid amide
  • sulfanilide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1-naphthol
  • organic nitrogen compound
  • organic sulfonic acid amide
  • organooxygen compound