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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:44 UTC
Update Date2025-03-25 01:00:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244130
Frequency0.5
Structure
Chemical FormulaC18H30O6
Molecular Mass342.2042
SMILESCCCCCCCCCCCC=CC(=O)OC(C(=O)O)C(O)C=O
InChI KeyBVLAEFPHKZWDON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxyaldehydes
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • monosaccharide
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • hydroxy fatty acid
  • enoate ester
  • alcohol
  • aldehyde
  • fatty acid ester
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound