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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:46 UTC
Update Date2025-03-21 18:40:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131271
Frequency19.3
Structure
Chemical FormulaC16H16O11S
Molecular Mass416.0413
SMILESO=C(O)C1OC(Oc2ccc3ccc(OS(=O)(=O)O)cc3c2)C(O)C(O)C1O
InChI KeyJJNCKBAOOROIHZ-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
  • arylsulfates
  • 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
  • phenol ethers
  • pyran carboxylic acids
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • arylsulfate
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • naphthalene
  • pyran
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester