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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:57:07 UTC
Update Date2025-03-25 00:31:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02055235
Frequency0.6
Structure
Chemical FormulaC6H8N2O
Molecular Mass124.0637
SMILESCn1c(N)ccc1C=O
InChI KeyZJBKQSGIRJOBED-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl-aldehydes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-methylpyrroles
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • substituted pyrroles
    • Substituents
  • n-methylpyrrole
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • organic oxide
  • aryl-aldehyde
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organoheterocyclic compound