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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:34 UTC
Update Date2025-03-25 00:45:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150115
Frequency0.5
Structure
Chemical FormulaC12H16O2S
Molecular Mass224.0871
SMILESCOc1cc2c(cc1O)CC(C)(C)CS2
InChI KeyFARFVIOSJFILGH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiochromanes
Subclass thiochromanes
Direct Parent thiochromanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzothiopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkylarylthioethers
  • anisoles
  • hydrocarbon derivatives
  • thiopyrans
    • Substituents
  • thiochromane
  • phenol ether
  • ether
  • benzothiopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • alkylarylthioether
  • thiopyran
  • aryl thioether
  • 1-benzothiopyran
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • thioether
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound