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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:52:46 UTC
Update Date2025-03-25 01:36:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02461787
Frequency0.5
Structure
Chemical FormulaC7H7NO2
Molecular Mass137.0477
SMILESCC(=O)C1=CC(=O)C(C)=N1
InChI KeyNIGGGMZTKQEPMO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass imines
Direct Parent ketimines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • cyclic ketone
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound