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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:33 UTC
Update Date2025-03-25 00:46:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157026
Frequency0.5
Structure
Chemical FormulaC15H12O4S
Molecular Mass288.0456
SMILESO=C1c2cccc(O)c2SC(c2ccc(O)cc2)C1O
InChI KeyXREOEROGHCIMFW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiochromanes
Subclass thioflavans
Direct Parent thioflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzothiopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkylarylthioethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • thiopyrans
  • vinylogous thioesters
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkylarylthioether
  • aryl thioether
  • 1-benzothiopyran
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • alcohol
  • vinylogous thioester
  • benzothiopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • thiopyran
  • thioflavan
  • organic oxygen compound
  • thioether
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone