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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:57 UTC
Update Date2025-03-25 01:00:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244655
Frequency0.5
Structure
Chemical FormulaC7H13NO3
Molecular Mass159.0895
SMILESCCCCC=C(O)CON=O
InChI KeyCUNVVINYOAPYPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass organic nitroso compounds
Direct Parent organic o-nitroso compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl nitrites
  • hydrocarbon derivatives
  • nitrite esters
  • organic nitrogen compounds
  • organic oxides
  • organooxygen compounds
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • nitrite ester
  • organic nitrite
  • organooxygen compound
  • organic o-nitroso compound
  • alkyl nitrite