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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:55 UTC
Update Date2025-03-25 00:47:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160007
Frequency0.5
Structure
Chemical FormulaC13H9NO6S
Molecular Mass307.0151
SMILESO=c1[nH]c2c(OS(=O)(=O)O)ccc(O)c2c2ccccc12
InChI KeyRVAJFKCRNCLRCQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass benzoquinolines
Direct Parent phenanthridines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • arylsulfates
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroquinolones
  • hydroxypyridines
  • isoquinolones and derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridinones
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • lactam
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • isoquinolone
  • arylsulfate
  • 2-halopyridine
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • dihydroquinoline
  • dihydroquinolone
  • pyridine
  • organic oxygen compound
  • isoquinoline
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenanthridine
  • organic nitrogen compound
  • sulfuric acid ester
  • pyridinone
  • organooxygen compound