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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:47 UTC
Update Date2025-03-21 18:39:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126535
Frequency20.2
Structure
Chemical FormulaC9H8N2O4S
Molecular Mass240.0205
SMILESNc1ccnc2c(OS(=O)(=O)O)cccc12
InChI KeyANBWIGLNFVABNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolines and derivatives
Direct Parent quinolines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • arylsulfates
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • polyhalopyridine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • arylsulfate
  • 2-halopyridine
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • pyridine
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • organooxygen compound