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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:24 UTC
Update Date2025-03-25 00:48:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170219
Frequency0.5
Structure
Chemical FormulaC22H40O8
Molecular Mass432.2723
SMILESCCCCCCCCCCCC=CC(O)C(O)C(=O)OC1OC(C)C(O)C(O)C1O
InChI KeyVIBAIIUKBWFNAS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty alcohols
Direct Parent long-chain fatty alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • monosaccharide
  • hydroxy acid
  • carboxylic acid derivative
  • oxacycle
  • long chain fatty alcohol
  • fatty acid ester
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • organooxygen compound