Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:37 UTC
Update Date2025-03-21 18:36:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00109427
Frequency24.4
Structure
Chemical FormulaC9H12OS
Molecular Mass168.0609
SMILESC=CCSCc1ccc(C)o1
InChI KeyISBQTFJFZOXGDO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furans
Direct Parent furans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • allyl sulfur compounds
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • sulfenyl compounds
  • Substituents
  • furan
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • dialkylthioether
  • heteroaromatic compound
  • allyl sulfur compound
  • organosulfur compound
  • oxacycle
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organooxygen compound