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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:23 UTC
Update Date2025-03-21 18:38:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118595
Frequency22.0
Structure
Chemical FormulaC7H8O3
Molecular Mass140.0473
SMILESC=CC(=O)C1CCC(=O)O1
InChI KeyYCYSZSOJQOOJRH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-acyloxy ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha,beta-unsaturated ketones
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • alpha-acyloxy ketone
  • tetrahydrofuran
  • alpha,beta-unsaturated ketone
  • carboxylic acid derivative
  • gamma butyrolactone
  • ketone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound