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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:26 UTC
Update Date2025-03-21 18:07:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00067961
Frequency44.6
Structure
Chemical FormulaC9H9NO4S
Molecular Mass227.0252
SMILESCn1ccc2cccc(OS(=O)(=O)O)c21
InChI KeyBPLZFDGFKCPGCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass n-alkylindoles
Direct Parent n-alkylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • arylsulfates
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • n-methylpyrroles
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • substituted pyrroles
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • n-methylpyrrole
  • n-alkylindole
  • organic sulfuric acid or derivatives
  • azacycle
  • indole
  • heteroaromatic compound
  • substituted pyrrole
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound