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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:30 UTC
Update Date2025-03-21 18:35:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106662
Frequency25.2
Structure
Chemical FormulaC8H10O5
Molecular Mass186.0528
SMILESO=C(O)C=CC(=O)CCCC(=O)O
InChI KeyVIEBOEQKLZRXDV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent medium-chain fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • unsaturated fatty acids
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha,beta-unsaturated ketone
  • carboxylic acid derivative
  • ketone
  • unsaturated fatty acid
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • acryloyl-group
  • organooxygen compound
  • enone