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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:34:35 UTC
Update Date2025-03-21 21:52:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00425301
Frequency4.2
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC(C)CC(=O)C(C)C=O
InChI KeyIRPQBTKNGWFYFY-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