Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:59:24 UTC
Update Date2025-03-21 18:06:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00060753
Frequency51.5
Structure
Chemical FormulaC11H16OS
Molecular Mass196.0922
SMILESCSC=C(C)CC1(O)C=CC=CC1
InChI KeyQAHWCROKTVPXDS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • sulfenyl compounds
  • thioenol ethers
  • Substituents
  • tertiary alcohol
  • thioenolether
  • sulfenyl compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organosulfur compound