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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:21 UTC
Update Date2025-03-25 00:49:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177051
Frequency0.5
Structure
Chemical FormulaC18H30O18
Molecular Mass534.1432
SMILESO=C(O)C1(OCC2(OC3OC(C(O)O)C(O)C(O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1O
InChI KeyVVLPEBVEEXCACU-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
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acids
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • carbonyl hydrate
  • tetrahydrofuran
  • monosaccharide
  • carboxylic acid derivative
  • oxacycle
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound