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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:47:22 UTC
Update Date2025-03-24 20:53:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01603141
Frequency0.8
Structure
Chemical FormulaC31H52O29
Molecular Mass888.2594
SMILESO=C(O)C1(OCC2OC(OC3OC(OC4C(CO)OC(O)C(O)C4O)C(O)C(OC4C(CO)OC(O)C(O)C4O)OC3CO)C(O)C(O)C2O)OC(CO)C(O)C(O)C1O
InChI KeyBMNQIXNEDDIOOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,4-dioxepanes
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • 1,4-dioxepane
  • hydroxy acid
  • dioxepane
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative