Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:17:38 UTC
Update Date2025-03-21 23:13:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00668742
Frequency2.4
Structure
Chemical FormulaC6H6O2S
Molecular Mass142.0088
SMILESCSc1ccoc(=O)c1
InChI KeyIUEQACCTEDFVMB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkylarylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • sulfenyl compounds
  • vinylogous thioesters
  • Substituents
  • vinylogous thioester
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • alkylarylthioether
  • aryl thioether
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • pyran
  • pyranone
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound