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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:49 UTC
Update Date2025-03-25 00:50:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178119
Frequency0.5
Structure
Chemical FormulaC8H10N2O3
Molecular Mass182.0691
SMILESCc1nc(N)c(CO)c(C=O)c1O
InChI KeyOGUOVMUDLPOSAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridine carboxaldehydes
Direct Parent pyridoxals and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • aromatic alcohols
  • aryl-aldehydes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyridinecarboxylic acids and derivatives
  • vinylogous acids
    • Substituents
  • aromatic alcohol
  • pyridine carboxylic acid or derivatives
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • organic oxide
  • aryl-aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • alcohol
  • pyridoxal
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • aldehyde
  • vinylogous acid
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound