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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:24 UTC
Update Date2025-03-25 00:50:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181717
Frequency0.5
Structure
Chemical FormulaC13H22O14S
Molecular Mass434.073
SMILESO=C(O)C1(O)CC(O)C(O)C(OC2OC(CO)C(OS(=O)(=O)O)C(O)C2O)C1
InChI KeyDGEHZEVWBNZVKQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass hydrolyzable tannins
Direct Parent hydrolyzable tannins
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl sulfates
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclohexanols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • quinic acids and derivatives
  • sulfuric acid monoesters
  • tertiary alcohols
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • hydrolyzable tannin
  • alcohol
  • organic sulfuric acid or derivatives
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • oxacycle
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound
  • quinic acid