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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:07 UTC
Update Date2025-03-25 00:56:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217805
Frequency0.5
Structure
Chemical FormulaC8H10N2O3
Molecular Mass182.0691
SMILESCc1ncc(C(=O)O)nc1C(C)O
InChI KeyOWZRLQUMUMWEQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrazines
Direct Parent pyrazine carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • pyrazine carboxylic acid
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound