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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:00 UTC
Update Date2025-03-21 18:40:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00129445
Frequency19.6
Structure
Chemical FormulaC12H15NO7
Molecular Mass285.0849
SMILESO=C(O)c1cccc(C2OC(CO)C(O)C(O)C2O)n1
InChI KeyGJWBWHCPSHNPQQ-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 heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • carboxylic acids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • polyhalopyridines
  • primary alcohols
  • secondary alcohols
    • Substituents
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • saccharide
  • organic oxide
  • pyridine-2-carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • oxane
  • primary alcohol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound