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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:44:15 UTC
Update Date2025-03-24 20:52:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01596095
Frequency0.8
Structure
Chemical FormulaC36H60O32
Molecular Mass1004.3068
SMILESO=C(O)C1(OCC2OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)OC3CO)C(O)C(O)C2O)C(OC2C(OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)OC(CO)C1O
InChI KeyVIEHFDGUFPWKSD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • acetals
  • carbonyl compounds
  • carboxylic acid orthoesters
  • carboxylic acids
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • ortho ester
  • monosaccharide
  • carboxylic acid orthoester
  • carboxylic acid derivative
  • dialkyl ether
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • orthocarboxylic acid derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • meta-dioxane
  • organooxygen compound