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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:09:43 UTC
Update Date2025-03-24 21:57:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01942452
Frequency0.6
Structure
Chemical FormulaC7H10N2O
Molecular Mass138.0793
SMILESNCc1c[nH]cc1CC=O
InChI KeyBJVCPCOYPAULJH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • azacyclic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • aldehyde
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound