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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:36 UTC
Update Date2025-03-25 00:50:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179865
Frequency0.5
Structure
Chemical FormulaC14H10OS
Molecular Mass226.0452
SMILESOc1ccccc1-c1cc2ccccc2s1
InChI KeyHOUFEXIRIOTXIY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiophenes
Subclass 1-benzothiophenes
Direct Parent 1-benzothiophenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2,3,5-trisubstituted thiophenes
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organooxygen compounds
    • Substituents
  • monocyclic benzene moiety
  • 2,3,5-trisubstituted thiophene
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • thiophene
  • 1-hydroxy-4-unsubstituted benzenoid
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 1-benzothiophene
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound