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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:51:13 UTC
Update Date2025-03-24 14:04:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00749485
Frequency2.0
Structure
Chemical FormulaC7H10N2O
Molecular Mass138.0793
SMILESCC(=O)c1cn(C)cc1N
InChI KeyXZBKFZABJABOLA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl alkyl ketones
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
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • n-methylpyrrole
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • organic oxide
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organoheterocyclic compound