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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:49 UTC
Update Date2025-03-21 18:32:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00092762
Frequency30.1
Structure
Chemical FormulaC7H12O
Molecular Mass112.0888
SMILESC=C(C(C)=O)C(C)C
InChI KeyBPRFWXBZSAFSNQ-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
  • ketones
  • organic oxides
    • Substituents
  • ketone
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone