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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:58:11 UTC
Update Date2025-03-24 20:58:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01629165
Frequency0.8
Structure
Chemical FormulaC7H7NO
Molecular Mass121.0528
SMILESCN=C1C=CC(=O)C=C1
InChI KeyXSAPCLGTQLCEGU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quinonimines
Direct Parent p-quinonimines
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary ketimines
    • Substituents
  • ketimine
  • carbonyl group
  • imine
  • organic 1,3-dipolar compound
  • cyclic ketone
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • p-quinonimine
  • secondary ketimine
  • organic oxide
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound