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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:20:38 UTC
Update Date2025-03-21 22:15:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00534057
Frequency3.1
Structure
Chemical FormulaC8H12O2
Molecular Mass140.0837
SMILESCC(=O)C(C=O)=CC(C)C
InChI KeyONKIHQVAVWXXGV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta ketoaldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-branched alpha,beta-unsaturated ketones
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • beta-ketoaldehyde
  • alpha,beta-unsaturated ketone
  • ketone
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone