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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:17 UTC
Update Date2025-03-25 00:48:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169934
Frequency0.5
Structure
Chemical FormulaC10H12O2S
Molecular Mass196.0558
SMILESCCOC(=O)Sc1ccc(C)cc1
InChI KeyVYMZRZVVDYUGNN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organic thiocarbonic acid derivatives
  • sulfenyl compounds
  • thiolactones
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carbonic acid derivative
  • sulfenyl compound
  • thiocarbonic acid derivative
  • aryl thioether
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • toluene
  • thiolactone
  • organooxygen compound