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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:56 UTC
Update Date2025-03-21 18:41:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136210
Frequency18.4
Structure
Chemical FormulaC8H7N3O4S
Molecular Mass241.0157
SMILESNc1ncnc2c(OS(=O)(=O)O)cccc12
InChI KeyFGPINSFTLBUVTC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolinamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • arylsulfates
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • imidolactam
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • quinazolinamine
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • organooxygen compound