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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:44 UTC
Update Date2025-03-25 00:47:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161824
Frequency0.5
Structure
Chemical FormulaC21H25NO14
Molecular Mass515.1275
SMILESO=C(O)C1OC(OCc2c[nH]c3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc23)C(O)C(O)C1O
InChI KeyBKWWAALEBAZXBI-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
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • pyrroles
  • secondary alcohols
    • Substituents
  • phenol ether
  • carbonyl group
  • carboxylic acid
  • indole
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • heteroaromatic compound
  • indole or derivatives
  • hydroxy acid
  • oxacycle
  • pyran
  • pyrrole
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound