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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:41 UTC
Update Date2025-03-25 00:53:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200554
Frequency0.5
Structure
Chemical FormulaC11H13NO2S
Molecular Mass223.0667
SMILESCOc1ccc(CC2SCN=C2O)cc1
InChI KeyUIEYEPANQQMQNO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • cyclic carboximidic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
  • thiazolines
    • Substituents
  • monocyclic benzene moiety
  • ether
  • meta-thiazoline
  • aromatic heteromonocyclic compound
  • azacycle
  • dialkylthioether
  • organic 1,3-dipolar compound
  • alkyl aryl ether
  • methoxybenzene
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • thioether
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • cyclic carboximidic acid
  • organoheterocyclic compound
  • organooxygen compound