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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:11 UTC
Update Date2025-03-25 00:59:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236014
Frequency0.5
Structure
Chemical FormulaC22H19NO2S
Molecular Mass361.1136
SMILESCOc1ccc(C2=Nc3ccccc3SC2c2ccc(OC)cc2)cc1
InChI KeyWETIXPZFJPIBKJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classstilbenes
Subclass stilbenes
Direct Parent stilbenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-thiazines
  • alkyl aryl ethers
  • alkylarylthioethers
  • anisoles
  • azacyclic compounds
  • benzothiazines
  • hydrocarbon derivatives
  • ketimines
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • phenol ether
  • ketimine
  • monocyclic benzene moiety
  • ether
  • imine
  • benzothiazine
  • alkyl aryl ether
  • alkylarylthioether
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • para-thiazine
  • azacycle
  • organic 1,3-dipolar compound
  • methoxybenzene
  • organic oxygen compound
  • thioether
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • stilbene