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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:28 UTC
Update Date2025-03-25 00:45:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152227
Frequency0.5
Structure
Chemical FormulaC25H31NO14
Molecular Mass569.1745
SMILESNC(Cc1c(C2OC(CO)C(O)C(O)C2O)ccc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc12)C(=O)O
InChI KeyFREWKULLFJBLNR-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
  • alpha amino acids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • naphthalenes
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • naphthalene
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound