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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:59 UTC
Update Date2025-03-21 18:31:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00086086
Frequency33.1
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESCCCC(=O)C(C)C=O
InChI KeyUWTNPPLLZDFVHO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent medium-chain aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • beta ketoaldehydes
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • ketone
  • aliphatic acyclic compound
  • organic oxide
  • beta-ketoaldehyde
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • medium-chain aldehyde