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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:41 UTC
Update Date2025-03-25 00:50:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180071
Frequency0.5
Structure
Chemical FormulaC28H30O13
Molecular Mass574.1686
SMILESCOc1cc(C=CC(=O)OC2C(C(=O)O)OC(Oc3ccc(CC4CCC(=O)O4)cc3OC)C(O)C2O)ccc1O
InChI KeyBOMYXSSJAPERJW-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
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • alkyl glycosides
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • enoate esters
  • fatty acid esters
  • gamma butyrolactones
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • tetrahydrofurans
  • tricarboxylic acids and derivatives
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • phenol ether
  • monocyclic benzene moiety
  • carboxylic acid
  • o-glucuronide
  • methoxyphenol
  • monosaccharide
  • pyran carboxylic acid
  • 1-o-glucuronide
  • alpha,beta-unsaturated carboxylic ester
  • saccharide
  • acetal
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • enoate ester
  • alcohol
  • methoxybenzene
  • fatty acid ester
  • anisole
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • carbonyl group
  • ether
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • tricarboxylic acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • hydroxycinnamic acid or derivatives
  • lactone
  • cinnamic acid or derivatives
  • organic oxide
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • gamma butyrolactone
  • hydroxycinnamic acid
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • benzenoid
  • organooxygen compound
  • alkyl glycoside