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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:53 UTC
Update Date2025-03-21 18:31:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00088141
Frequency32.2
Structure
Chemical FormulaC13H16N2O3S
Molecular Mass280.0882
SMILESCOc1cc(CC2SCC3NC(=O)NC32)ccc1O
InChI KeyAHLHDUMBUKTXPJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • dialkylthioethers
  • hydrocarbon derivatives
  • imidazolidinones
  • methoxybenzenes
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • thienoimidazolidines
  • thiolanes
  • thiophenes
    • Substituents
  • thiolane
  • imidazolidine
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • thiophene
  • imidazolidinone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • carbonic acid derivative
  • azacycle
  • dialkylthioether
  • thienoimidazolidine
  • methoxybenzene
  • organic oxygen compound
  • thioether
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound