Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:15:32 UTC
Update Date2025-03-21 22:13:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00521818
Frequency3.2
Structure
Chemical FormulaC7H12OS
Molecular Mass144.0609
SMILESCSC1CC=CC(O)C1
InChI KeyINLIXEDGVBUPEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • sulfenyl compounds
  • Substituents
  • sulfenyl compound
  • thioether
  • dialkylthioether
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organosulfur compound