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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:56 UTC
Update Date2025-03-25 01:01:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249219
Frequency0.5
Structure
Chemical FormulaC9H9NO4S
Molecular Mass227.0252
SMILESCOc1[nH]c2ccccc2c1S(=O)(=O)O
InChI KeyMCSOJBOUEFFCFT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • arylsulfonic acids and derivatives
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonic acids
  • pyrroles
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • ether
  • azacycle
  • indole
  • organosulfonic acid
  • heteroaromatic compound
  • alkyl aryl ether
  • organosulfur compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • arylsulfonic acid or derivatives
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound