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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:48 UTC
Update Date2025-03-25 00:54:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207635
Frequency0.5
Structure
Chemical FormulaC12H13NOS
Molecular Mass219.0718
SMILESO=C(CCC1=NCCS1)c1ccccc1
InChI KeyGGZMEHPELWUEGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • butyrophenones
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • thiazolines
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • meta-thiazoline
  • aromatic heteromonocyclic compound
  • azacycle
  • benzoyl
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • butyrophenone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone
  • organoheterocyclic compound