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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:27:23 UTC
Update Date2025-03-25 01:26:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02402437
Frequency0.5
Structure
Chemical FormulaC6H9N
Molecular Mass95.0735
SMILESC=CC=NCC=C
InChI KeyDUKPXSUWWXJGOP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass imines
Direct Parent aldimines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aldimine
  • aliphatic acyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound