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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:33 UTC
Update Date2025-03-25 00:49:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177514
Frequency0.5
Structure
Chemical FormulaC12H14OS
Molecular Mass206.0765
SMILESCc1cc2c(cc1S)C(C)(C)CC2=O
InChI KeyIJEOHRNMLZIMKP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanones
Direct Parent indanones
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • thiols
  • thiophenols
    • Substituents
  • aryl alkyl ketone
  • indanone
  • aromatic homopolycyclic compound
  • arylthiol
  • organosulfur compound
  • ketone
  • organic oxide
  • thiophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone