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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:46 UTC
Update Date2025-03-25 00:59:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237320
Frequency0.5
Structure
Chemical FormulaC13H14N2O7
Molecular Mass310.0801
SMILESO=C(O)c1ccc2c(n1)c(O)cn2C1OC(CO)C(O)C1O
InChI KeyQNHLJDWDGKWLEA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridine-2-carboxylic acids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • primary alcohols
  • secondary alcohols
  • substituted pyrroles
  • tetrahydrofurans
    • Substituents
  • carboxylic acid
  • polyhalopyridine
  • monosaccharide
  • substituted pyrrole
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • pyridine-2-carboxylic acid
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • primary alcohol
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxypyridine
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound