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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:28 UTC
Update Date2025-03-25 00:59:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236644
Frequency0.5
Structure
Chemical FormulaC16H16O6S2
Molecular Mass368.0388
SMILESCOc1cc(C2Sc3ccccc3CC2OS(=O)(=O)O)ccc1O
InChI KeyUSVKYQZEVBNTLK-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
  • alkyl aryl ethers
  • alkyl sulfates
  • alkylarylthioethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • sulfuric acid monoesters
  • thiopyrans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • alkylarylthioether
  • aryl thioether
  • 1-benzothiopyran
  • organic oxide
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • organic sulfuric acid or derivatives
  • benzothiopyran
  • thiopyran
  • methoxybenzene
  • thioflavan
  • organic oxygen compound
  • thioether
  • anisole
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound