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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:12 UTC
Update Date2025-03-25 00:54:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206273
Frequency0.5
Structure
Chemical FormulaC7H7NO2S
Molecular Mass169.0197
SMILESC=CC(=O)C(=O)C1=NCCS1
InChI KeyWSRCGRZGRGVGAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-diketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acryloyl compounds
  • azacyclic compounds
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • thiazolines
    • Substituents
  • meta-thiazoline
  • azacycle
  • organic 1,3-dipolar compound
  • alpha,beta-unsaturated ketone
  • alpha-diketone
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • organoheterocyclic compound
  • enone