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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:00:54 UTC
Update Date2025-03-25 01:40:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02481382
Frequency0.5
Structure
Chemical FormulaC6H7NO3
Molecular Mass141.0426
SMILESC=CCC(=NO)C(O)=C=O
InChI KeyKCOJTAPVTHZBER-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass oximes
Direct Parent ketoximes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • ynolate
  • organopnictogen compound
  • hydrocarbon derivative
  • ketoxime
  • organooxygen compound