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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:20:40 UTC
Update Date2025-03-24 14:17:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00820215
Frequency1.8
Structure
Chemical FormulaC4H7NO3
Molecular Mass117.0426
SMILESCC(=O)CCON=O
InChI KeyAYRNXMLRQDRHSD-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
  • ketones
  • nitrite esters
  • organic nitrogen compounds
  • organic oxides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic nitrite
  • alkyl nitrite
  • ketone
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • nitrite ester
  • organooxygen compound
  • organic o-nitroso compound