Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:38:51 UTC
Update Date2025-03-21 22:52:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00577624
Frequency2.8
Structure
Chemical FormulaC7H7FS
Molecular Mass142.0252
SMILESCSc1ccc(F)cc1
InChI KeyXFUMHENRNCUHOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classthiophenols
Subclass thiophenols
Direct Parent thiophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkylarylthioethers
  • aryl fluorides
  • fluorobenzenes
  • hydrocarbon derivatives
  • organofluorides
  • sulfenyl compounds
  • thiophenol ethers
  • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • sulfenyl compound
  • organofluoride
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • aryl thioether
  • aryl halide
  • aromatic homomonocyclic compound
  • fluorobenzene
  • thiophenol
  • thioether
  • thiophenol ether
  • hydrocarbon derivative
  • halobenzene