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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:12 UTC
Update Date2025-03-25 00:49:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176663
Frequency0.5
Structure
Chemical FormulaC15H14O2S
Molecular Mass258.0715
SMILESCOc1ccc(C2Cc3ccc(O)cc3S2)cc1
InChI KeyJHLJCJXLLIYTGO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkylarylthioethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • organoheterocyclic compounds
  • phenoxy compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • alkylarylthioether
  • methoxybenzene
  • aryl thioether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • thioether
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound