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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:12 UTC
Update Date2025-03-25 00:49:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174339
Frequency0.5
Structure
Chemical FormulaC15H26O6
Molecular Mass302.1729
SMILESCCCCCCCC=CC(=O)OC(CO)C(O)C(O)C=O
InChI KeyDTRCKCXSOFZOHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • enoate esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • primary alcohols
  • secondary alcohols
    • Substituents
  • enoate ester
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • beta-hydroxy aldehyde
  • monosaccharide
  • aldehyde
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • alpha-hydroxyaldehyde
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound