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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:24 UTC
Update Date2025-03-25 00:50:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181713
Frequency0.5
Structure
Chemical FormulaC7H10O10S
Molecular Mass285.9995
SMILESO=C(O)C1(O)CC(O)C(OS(=O)(=O)O)C(O)C1=O
InChI KeySTIJWBOOFYGTJQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent quinic acids and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • acyloins
  • alkyl sulfates
  • alpha hydroxy acids and derivatives
  • carboxylic acids
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • sulfuric acid monoesters
  • tertiary alcohols
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • alkyl sulfate
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • acyloin
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • quinic acid