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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:07 UTC
Update Date2025-03-25 00:50:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178779
Frequency0.5
Structure
Chemical FormulaC13H16O13S
Molecular Mass412.0312
SMILESCOC1C(C(=O)O)OC(Oc2c(O)cc(O)cc2O)C(OS(=O)(=O)O)C1O
InChI KeyAOTKZRRONFXWAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4-alkoxyphenols
  • acetals
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • phloroglucinols and derivatives
  • pyran carboxylic acids
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • 1-o-glucuronide
  • phloroglucinol derivative
  • organic oxide
  • acetal
  • alkyl sulfate
  • oxane
  • organoheterocyclic compound
  • alcohol
  • 4-alkoxyphenol
  • pyran carboxylic acid or derivatives
  • organic sulfuric acid or derivatives
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester