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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:27:51 UTC
Update Date2025-03-24 21:38:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01843433
Frequency0.7
Structure
Chemical FormulaC8H12O2
Molecular Mass140.0837
SMILESC=CCCC(C=O)C(C)=O
InChI KeyPFJFZCPIUJIWBD-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