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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:11:33 UTC
Update Date2025-03-21 18:32:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00089674
Frequency31.5
Structure
Chemical FormulaC11H11NO3S
Molecular Mass237.046
SMILESCOc1ccc2cc(S(N)(=O)=O)ccc2c1
InChI KeyFMZMBZYDYWZGKA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalene sulfonic acids and derivatives
Direct Parent 2-naphthalene sulfonamides
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 2-naphthalene sulfonic acids and derivatives
  • alkyl aryl ethers
  • aminosulfonyl compounds
  • anisoles
  • hydrocarbon derivatives
  • organic nitrogen compounds
  • organic oxides
  • organosulfonamides
    • Substituents
  • phenol ether
  • organosulfonic acid or derivatives
  • ether
  • aminosulfonyl compound
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • organosulfur compound
  • 2-naphthalene sulfonamide
  • organosulfonic acid amide
  • 2-naphthalene sulfonic acid or derivatives
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound