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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:38 UTC
Update Date2025-03-25 00:45:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150281
Frequency0.5
Structure
Chemical FormulaC10H13NO2S
Molecular Mass211.0667
SMILESCOc1ccc(C(O)=NCCS)cc1
InChI KeyZWUHJFCTWYZUIY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alkylthiols
  • carboximidic acids
  • hydrocarbon derivatives
  • methoxybenzenes
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carboximidic acid
  • monocyclic benzene moiety
  • ether
  • organic 1,3-dipolar compound
  • alkyl aryl ether
  • organosulfur compound
  • methoxybenzene
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • alkylthiol
  • organooxygen compound