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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:06:22 UTC
Update Date2025-03-21 20:47:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00358038
Frequency5.3
Structure
Chemical FormulaC7H8OS
Molecular Mass140.0296
SMILESCc1ccc(CC=O)s1
InChI KeyJUHSREAVTQLESM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiophenes
Subclass 2,5-disubstituted thiophenes
Direct Parent 2,5-disubstituted thiophenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • 2,5-disubstituted thiophene
  • carbonyl group
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • aldehyde
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative
  • organooxygen compound