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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:14:43 UTC
Update Date2025-03-25 00:37:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02097025
Frequency0.6
Structure
Chemical FormulaC6H10NO
Molecular Mass112.0762
SMILESCCC=CCC=[N+][O-]
InChI KeyHQGBXAGZKCQZBX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass allyl-type 1,3-dipolar organic compounds
Direct Parent allyl-type 1,3-dipolar organic compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • allyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic hyponitrite