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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:16 UTC
Update Date2025-03-25 00:49:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174516
Frequency0.5
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESCCCCC(=C=O)ON=O
InChI KeyGYLPLHDARDJFRZ-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
  • hydrocarbon derivatives
  • nitrite esters
  • organic nitrites
  • organic nitrogen compounds
  • organic oxides
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • ynolate
  • hydrocarbon derivative
  • nitrite ester
  • organic nitrite
  • organooxygen compound
  • organic o-nitroso compound