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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:07 UTC
Update Date2025-03-25 00:45:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151402
Frequency0.5
Structure
Chemical FormulaC10H10N2O6S
Molecular Mass286.026
SMILESCn1c(=O)c2cccc(OS(=O)(=O)O)c2n(C)c1=O
InChI KeyDXJJJABMSKUYIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • arylsulfates
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrimidones
  • sulfuric acid monoesters
  • ureas
  • vinylogous amides
    • Substituents
  • sulfuric acid monoester
  • lactam
  • pyrimidone
  • pyrimidine
  • urea
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • vinylogous amide
  • carbonic acid derivative
  • 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