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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:50 UTC
Update Date2025-03-21 18:34:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100088
Frequency27.4
Structure
Chemical FormulaC8H10O2S
Molecular Mass170.0402
SMILESCOc1cc(SC)ccc1O
InChI KeyPKJBKCJDRDHTGZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkylarylthioethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • phenoxy compounds
  • sulfenyl compounds
  • thiophenol ethers
  • thiophenols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • sulfenyl compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • alkylarylthioether
  • organosulfur compound
  • methoxybenzene
  • aryl thioether
  • aromatic homomonocyclic compound
  • thiophenol
  • organic oxygen compound
  • thioether
  • anisole
  • thiophenol ether
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound