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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:34:41 UTC
Update Date2025-03-25 00:44:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02143365
Frequency0.6
Structure
Chemical FormulaC39H68O22
Molecular Mass888.4202
SMILESCCCCCCCCCCCC=CC(=O)OCC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI KeyRGQUTUXXIQJXBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acyl glycosides
Direct Parent fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl glycosides
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • enoate esters
  • fatty acid esters
  • fatty alcohols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • carbonyl group
  • beta-hydroxy aldehyde
  • monosaccharide
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • fatty alcohol
  • aliphatic heteromonocyclic compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • enoate ester
  • alcohol
  • aldehyde
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • alkyl glycoside