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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:51 UTC
Update Date2025-03-25 00:48:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171233
Frequency0.5
Structure
Chemical FormulaC11H15NO2S
Molecular Mass225.0824
SMILESCOc1cc(C2SCCC2N)ccc1O
InChI KeyYZDMXFUDIPDAKJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dialkylthioethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • thiolanes
    • Substituents
  • thiolane
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • dialkylthioether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • organic oxygen compound
  • thioether
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound