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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:33 UTC
Update Date2025-03-25 00:59:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236826
Frequency0.5
Structure
Chemical FormulaC11H11NO4S
Molecular Mass253.0409
SMILESCOc1cccc2ccc(OS(C)(=O)=O)nc12
InChI KeyXGIPOKAHBAHVAM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolones and derivatives
Direct Parent quinolones and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methanesulfonates
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonic acid esters
  • polyhalopyridines
  • sulfonic acid esters
  • sulfonyls
    • Substituents
  • phenol ether
  • organosulfonic acid or derivatives
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • organosulfur compound
  • sulfonic acid ester
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • quinolone
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • organosulfonic acid ester
  • methanesulfonate
  • sulfonyl
  • pyridine
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound