Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:26:57 UTC
Update Date2025-03-24 21:11:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01698873
Frequency0.7
Structure
Chemical FormulaC6H7N2O+
Molecular Mass123.0553
SMILESC[n+]1ccncc1C=O
InChI KeyXHHRBKCWKZGNQW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrazines
Direct Parent pyrazine carboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl-aldehydes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • aldehyde
  • organic oxide
  • aryl-aldehyde
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrazine carboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound