Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:34:13 UTC
Update Date2025-03-21 19:57:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00283546
Frequency7.1
Structure
Chemical FormulaC8H10S
Molecular Mass138.0503
SMILESCc1ccc(S)c(C)c1
InChI KeyAMNLXDDJGGTIPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classthiophenols
Subclass thiophenols
Direct Parent thiophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • thiols
  • m-xylenes
  • Substituents
  • aromatic homomonocyclic compound
  • xylene
  • monocyclic benzene moiety
  • thiophenol
  • m-xylene
  • hydrocarbon derivative
  • arylthiol
  • organosulfur compound