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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:02:47 UTC
Update Date2025-03-25 00:33:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02068520
Frequency0.6
Structure
Chemical FormulaC7H13NO
Molecular Mass127.0997
SMILESCCCC(O)=CC=NC
InChI KeyWBJJMFSMOCKSOQ-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
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aldimine
  • aliphatic acyclic compound
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organooxygen compound
  • propargyl-type 1,3-dipolar organic compound