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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:14:22 UTC
Update Date2025-03-21 23:11:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00661090
Frequency2.4
Structure
Chemical FormulaC6H4O2S
Molecular Mass139.9932
SMILESO=Cc1ccc(C=O)s1
InChI KeyOTMRXENQDSQACG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiophenes
Subclass thiophene carboxylic acids and derivatives
Direct Parent thiophene carboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2,5-disubstituted thiophenes
  • aryl-aldehydes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
    • Substituents
  • 2,5-disubstituted thiophene
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • aldehyde
  • thiophene carboxylic acid or derivatives
  • organic oxide
  • aryl-aldehyde
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound