Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:06:44 UTC
Update Date2025-03-25 01:18:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02354684
Frequency0.5
Structure
Chemical FormulaC7H8OS
Molecular Mass140.0296
SMILESCOc1cccc(S)c1
InChI KeyQMVAZEHZOPDGHA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classthiophenols
Subclass thiophenols
Direct Parent thiophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • phenoxy compounds
  • thiols
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • arylthiol
  • alkyl aryl ether
  • organosulfur compound
  • methoxybenzene
  • aromatic homomonocyclic compound
  • thiophenol
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound