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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:27:55 UTC
Update Date2025-03-24 17:49:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00981533
Frequency1.4
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESCC(=O)C1N=CCC1=O
InChI KeyHQKJSTLEOYXIAY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-diketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic ketones
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
    • Substituents
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • cyclic ketone
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • 1,3-diketone