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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:52 UTC
Update Date2025-03-25 00:48:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171265
Frequency0.5
Structure
Chemical FormulaC15H14O3S
Molecular Mass274.0664
SMILESCOc1cc(C2COc3ccccc3S2)ccc1O
InChI KeyDMYNROGTDYIPPU-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
  • alkylarylthioethers
  • anisoles
  • benzoxathiins
  • hydrocarbon derivatives
  • methoxybenzenes
  • oxacyclic compounds
  • oxathiins
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • alkylarylthioether
  • methoxybenzene
  • aryl thioether
  • oxacycle
  • organic oxygen compound
  • 1,4-benzooxathiin
  • aromatic heteropolycyclic compound
  • thioether
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound
  • 1,4-oxathiin