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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:07 UTC
Update Date2025-03-25 00:46:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153774
Frequency0.5
Structure
Chemical FormulaC9H11NO2S
Molecular Mass197.051
SMILESCOc1ccccc1SCC(N)=O
InChI KeyQADWQAKIDOMWMA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classthiophenols
Subclass thiophenols
Direct Parent thiophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alkylarylthioethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • primary carboxylic acid amides
  • sulfenyl compounds
  • thiophenol ethers
    • Substituents
  • primary carboxylic acid amide
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • alkylarylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • aryl thioether
  • organic oxide
  • thiophenol
  • thiophenol ether
  • organonitrogen compound
  • organopnictogen compound
  • sulfenyl compound
  • carboxamide group
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • thioether
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound