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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:33:16 UTC
Update Date2025-03-24 14:28:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00850846
Frequency1.7
Structure
Chemical FormulaC7H10O2
Molecular Mass126.0681
SMILESC=CC(=O)C(O)=CCC
InChI KeyGRNVHSJAPTWDJN-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
  • alpha-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone