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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:22 UTC
Update Date2025-03-25 00:51:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190717
Frequency0.5
Structure
Chemical FormulaC8H8OS
Molecular Mass152.0296
SMILESC=C(C)C(=O)c1cccs1
InChI KeyAKTCAPPBLTYJPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl ketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha-branched alpha,beta-unsaturated ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • thiophenes
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • thiophene
  • alpha,beta-unsaturated ketone
  • organic oxide
  • hydrocarbon derivative
  • organoheterocyclic compound
  • aryl ketone