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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:41 UTC
Update Date2025-03-25 00:53:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200550
Frequency0.5
Structure
Chemical FormulaC18H20O4S
Molecular Mass332.1082
SMILESCOc1ccc(CC2CCSc3cc(OC)c(O)cc32)cc1O
InChI KeyUDPTVODGUFHUEP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzothiopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkylarylthioethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • phenoxy compounds
  • thiochromanes
  • thiopyrans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • alkylarylthioether
  • aryl thioether
  • 1-benzothiopyran
  • aromatic heteropolycyclic compound
  • organoheterocyclic compound
  • thiochromane
  • benzothiopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • thiopyran
  • methoxybenzene
  • organic oxygen compound
  • thioether
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound