Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:13 UTC
Update Date2025-03-25 00:54:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208633
Frequency0.5
Structure
Chemical FormulaC10H14S
Molecular Mass166.0816
SMILESCC(C)(C)c1cccc(S)c1
InChI KeyJIBAYVMQQFJSGC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • thiols
  • thiophenols
  • Substituents
  • phenylpropane
  • aromatic homomonocyclic compound
  • thiophenol
  • hydrocarbon derivative
  • arylthiol
  • organosulfur compound