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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:33:18 UTC
Update Date2025-03-24 17:52:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00994421
Frequency1.4
Structure
Chemical FormulaC8H12O2
Molecular Mass140.0837
SMILESC=CC(C)(O)C=CC(C)=O
InChI KeyOQVWLBGIGBQHFZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • tertiary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • alpha,beta-unsaturated ketone
  • ketone
  • tertiary alcohol
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone