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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:58 UTC
Update Date2025-03-25 00:46:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155759
Frequency0.5
Structure
Chemical FormulaC17H16O5S
Molecular Mass332.0718
SMILESCSc1cc2c(cc1O)CC(O)C(c1ccc(O)c(O)c1)C2=O
InChI KeyRWGJTFRIXXNVHA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass phenylnaphthalenes
Direct Parent phenylnaphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkylarylthioethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • sulfenyl compounds
  • tetralins
  • thiophenol ethers
  • thiophenols
    • Substituents
  • tetralin
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkylarylthioether
  • organosulfur compound
  • aryl thioether
  • ketone
  • organic oxide
  • thiophenol
  • thiophenol ether
  • alcohol
  • sulfenyl compound
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • organic oxygen compound
  • thioether
  • phenylnaphthalene
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone