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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:09:04 UTC
Update Date2025-03-21 22:10:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00506848
Frequency3.4
Structure
Chemical FormulaC6H9N
Molecular Mass95.0735
SMILESCC1=CC(C)=NC1
InChI KeyQFDXZLDQDLJHAU-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
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • azacycle
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organoheterocyclic compound
  • propargyl-type 1,3-dipolar organic compound