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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:48 UTC
Update Date2025-03-25 00:45:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150676
Frequency0.5
Structure
Chemical FormulaC10H10O4S
Molecular Mass226.03
SMILESO=C(O)C1CCSc2cc(O)c(O)cc21
InChI KeyOFPQZXWYVQXQIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiochromanes
Subclass thiochromanes
Direct Parent thiochromanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzothiopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkylarylthioethers
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • thiopyrans
    • Substituents
  • thiochromane
  • carbonyl group
  • carboxylic acid
  • benzothiopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkylarylthioether
  • thiopyran
  • carboxylic acid derivative
  • aryl thioether
  • 1-benzothiopyran
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • thioether
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound