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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:52 UTC
Update Date2025-03-25 00:50:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182755
Frequency0.5
Structure
Chemical FormulaC21H30O14
Molecular Mass506.1636
SMILESO=CC(O)C(OC1OC(OC(=O)CCC(O)Cc2ccc(O)c(O)c2)C(O)C(O)C1O)C(O)CO
InChI KeyDCNZBSQHRFZDQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alpha-hydroxyaldehydes
  • benzene and substituted derivatives
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • aldehyde
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound