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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:17 UTC
Update Date2025-03-25 00:47:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163091
Frequency0.5
Structure
Chemical FormulaC24H28O13
Molecular Mass524.153
SMILESO=C(CCC(O)Cc1cc(O)cc(O)c1)OC1OC(COC(=O)c2ccc(O)c(O)c2)C(O)C(O)C1O
InChI KeyUDSQABICOLEORK-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 aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • resorcinols
  • secondary alcohols
  • m-hydroxybenzoic acid esters
  • p-hydroxybenzoic acid alkyl esters
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • p-hydroxybenzoic acid ester
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • benzoate ester
  • carboxylic acid derivative
  • resorcinol
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • m-hydroxybenzoic acid ester
  • organoheterocyclic compound
  • alcohol
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • p-hydroxybenzoic acid alkyl ester
  • oxacycle
  • fatty acid ester
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound