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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:21 UTC
Update Date2025-03-21 18:36:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111216
Frequency23.9
Structure
Chemical FormulaC11H17NO3S
Molecular Mass243.0929
SMILESCOc1cc(C(O)CSCCN)ccc1O
InChI KeyWPLQXFBUUYRACH-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
  • anisoles
  • aromatic alcohols
  • dialkylthioethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
  • sulfenyl compounds
    • Substituents
  • aromatic alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organosulfur compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • sulfenyl compound
  • dialkylthioether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • thioether
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound