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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:33:27 UTC
Update Date2025-03-21 18:45:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00142044
Frequency17.4
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESC=CC(=O)C(C)C(C)O
InChI KeyVWJNKHPPORUULI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent b'-hydroxy-alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • beta-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • b'-hydroxy-alpha,beta-unsaturated-ketone
  • ketone
  • organic oxide
  • secondary alcohol
  • hydrocarbon derivative
  • acryloyl-group
  • enone