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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:52 UTC
Update Date2025-03-25 00:56:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221885
Frequency0.5
Structure
Chemical FormulaC11H9NO4
Molecular Mass219.0532
SMILESO=c1cccc(-c2cc(O)c(O)c(O)c2)[nH]1
InChI KeyCGGGHMCPUFLHKI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenetriols and derivatives
Direct Parent pyrogallols and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-halopyridines
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyridinones
  • Substituents
  • monocyclic benzene moiety
  • lactam
  • pyrogallol derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organic oxide
  • pyridine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • pyridinone
  • organoheterocyclic compound
  • organooxygen compound