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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:38:12 UTC
Update Date2025-03-24 21:43:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01868132
Frequency0.7
Structure
Chemical FormulaC5H8O4
Molecular Mass132.0423
SMILESO=CCCOCC(=O)O
InChI KeyFLDBSUBSTOELCJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydrogen aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • short-chain aldehydes
    • Substituents
  • aliphatic acyclic compound
  • short-chain aldehyde
  • ether
  • carboxylic acid
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • monocarboxylic acid or derivatives
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative