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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:03 UTC
Update Date2025-03-21 18:33:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00095716
Frequency28.9
Structure
Chemical FormulaC14H20N2O8
Molecular Mass344.122
SMILESCc1ncc(COC2OC(C(=O)O)C(O)C(O)C2O)c(CN)c1O
InChI KeySCDBLPCVFSNRRT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridoxamines
Direct Parent pyridoxamine 5'-phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • acetals
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • polyhalopyridines
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • oxane
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • hydroxy acid
  • pyridoxamine 5'-phosphate
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound