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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:34 UTC
Update Date2025-03-25 00:56:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221171
Frequency0.5
Structure
Chemical FormulaC14H15NO9
Molecular Mass341.0747
SMILESO=C(O)C1OC(Oc2cc3[nH]ccc3cc2O)C(O)C(O)C1(O)O
InChI KeyCOTNXSKHLLXXAG-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
  • 1,1-diols
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • azacyclic compounds
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • monocarboxylic acids and derivatives
  • 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
  • carbonyl hydrate
  • indole
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • heteroaromatic compound
  • indole or derivatives
  • 1,1-diol
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound