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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:54 UTC
Update Date2025-03-25 00:53:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203307
Frequency0.5
Structure
Chemical FormulaC7H8O2
Molecular Mass124.0524
SMILESC=C(CC)C(=O)C=C=O
InChI KeyCPXPRHJZRIVIBF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • enones
  • hydrocarbon derivatives
  • ketenes
  • ketones
  • organic oxides
  • ynolates
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • ketone
  • organic oxide
  • ynolate
  • hydrocarbon derivative
  • acryloyl-group
  • ketene
  • enone