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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:42 UTC
Update Date2025-03-25 00:54:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207428
Frequency0.5
Structure
Chemical FormulaC11H15N2O6+
Molecular Mass271.0925
SMILESNc1cc[n+](C2OC(CO)C(O)C2O)c(C(=O)O)c1
InChI KeyMBJCMBUAZYSDGX-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridine-2-carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • amino acids
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • primary alcohols
  • primary amines
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • polyhalopyridine
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • pyridine-2-carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • primary alcohol
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxypyridine
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound