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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:45 UTC
Update Date2025-03-25 00:47:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161857
Frequency0.5
Structure
Chemical FormulaC18H18O9
Molecular Mass378.0951
SMILESO=C(O)C1OC(OC2COc3cc4ccccc4cc3O2)C(O)C(O)C1O
InChI KeyQAXJYQLONLKJEO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • benzo-1,4-dioxanes
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • naphthalenes
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • para dioxins
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • benzodioxane
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzo-1,4-dioxane
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • naphthalene
  • para-dioxin
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid