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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:57:56 UTC
Update Date2025-03-25 00:31:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02057195
Frequency0.6
Structure
Chemical FormulaC42H50O32
Molecular Mass1066.2285
SMILESO=C1CC(c2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)OC(C(O)CO)c2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c21
InChI KeyTZXDGVCDXZXTJF-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
  • aryl alkyl ketones
  • benzoxepines
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • dialkyl ethers
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • tetracarboxylic acids and derivatives
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • benzoxepine
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • ketone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetracarboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • aryl ketone