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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:06 UTC
Update Date2025-03-25 00:46:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158241
Frequency0.5
Structure
Chemical FormulaC12H14O6S
Molecular Mass286.0511
SMILESO=C(O)CSCC(=O)C(O)Cc1ccc(O)c(O)c1
InChI KeyNRRZGUNJGPRAFB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • acyloins
  • alpha-hydroxy ketones
  • benzene and substituted derivatives
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • sulfenyl compounds
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • organosulfur compound
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • saccharide
  • organic oxide
  • alcohol
  • sulfenyl compound
  • dialkylthioether
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound