Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:06:01 UTC
Update Date2025-03-24 22:29:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01217710
Frequency1.1
Structure
Chemical FormulaC7H12OS
Molecular Mass144.0609
SMILESCC1=C(C(C)O)CSC1
InChI KeyRBKUKPJQRPLGOU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrothiophenes
Subclass dihydrothiophenes
Direct Parent dihydrothiophenes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • secondary alcohols
  • Substituents
  • alcohol
  • organic oxygen compound
  • thioether
  • dialkylthioether
  • aliphatic heteromonocyclic compound
  • 2,5-dihydrothiophene
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound