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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:03 UTC
Update Date2025-03-25 01:01:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251822
Frequency0.5
Structure
Chemical FormulaC8H6N2O5S2
Molecular Mass273.9718
SMILESO=c1[nH]c(=S)[nH]c2cc(OS(=O)(=O)O)ccc12
InChI KeyWLFIKNLVJLJIJZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-thiopyrimidines
  • arylsulfates
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrimidinethiones
  • pyrimidones
  • sulfuric acid monoesters
  • thioureas
  • vinylogous amides
    • Substituents
  • sulfuric acid monoester
  • thiourea
  • lactam
  • pyrimidinethione
  • pyrimidone
  • organosulfur compound
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-thiopyrimidine
  • arylsulfate
  • vinylogous amide
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • quinazoline
  • sulfuric acid ester
  • organooxygen compound
  • thiopyrimidine