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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:16 UTC
Update Date2025-03-25 00:48:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169904
Frequency0.5
Structure
Chemical FormulaC20H34O17
Molecular Mass546.1796
SMILESCCOC1OC(C(=O)OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)C(O)C(O)C1O
InChI KeyRYXMWQDMPYKMJM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsaccharolipids
Subclass saccharolipids
Direct Parent saccharolipids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl glycosides
  • alpha-hydroxyaldehydes
  • beta hydroxy acids and derivatives
  • beta-hydroxy aldehydes
  • carboxylic acid esters
  • fatty acyl glycosides of mono- and disaccharides
  • fatty alcohols
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • beta-hydroxy aldehyde
  • carbonyl group
  • glucuronic acid or derivatives
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • fatty alcohol
  • aliphatic heteromonocyclic compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • fatty acyl glycoside
  • aldehyde
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • saccharolipid
  • organooxygen compound
  • alkyl glycoside