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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:50:39 UTC
Update Date2025-03-21 18:02:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00040057
Frequency86.4
Structure
Chemical FormulaC12H9NO4
Molecular Mass231.0532
SMILESO=C(O)c1ccc(Oc2ccc(O)cc2)nc1
InChI KeyLXZMGPCPPRUEKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent diarylethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • polyhalopyridines
  • pyridine-3-carboxylic acids
    • Substituents
  • diaryl ether
  • pyridine carboxylic acid or derivatives
  • phenol ether
  • monocyclic benzene moiety
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • pyridine-3-carboxylic acid
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • monocarboxylic acid or derivatives
  • pyridine
  • pyridine carboxylic acid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound