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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:14 UTC
Update Date2025-03-25 00:57:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222725
Frequency0.5
Structure
Chemical FormulaC9H10O4S
Molecular Mass214.03
SMILESO=S1(=O)COC(c2ccc(O)cc2)C1
InChI KeyGXGMYMJQUOQTNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • monothioacetals
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • oxathiolanes
  • sulfones
    • Substituents
  • monocyclic benzene moiety
  • oxathiolane
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monothioacetal
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • sulfone