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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:23 UTC
Update Date2025-03-25 00:46:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156668
Frequency0.5
Structure
Chemical FormulaC18H24O13S
Molecular Mass480.0938
SMILESO=C1CCC(Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OCOS(=O)(=O)O)c2)O1
InChI KeyWMNULQQQMNGVNO-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
  • acetals
  • alkyl glycosides
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound
  • alkyl glycoside