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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:11 UTC
Update Date2025-03-25 00:48:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169727
Frequency0.5
Structure
Chemical FormulaC10H14O2S
Molecular Mass198.0715
SMILESCCc1cc(C)c(CCC(=O)O)s1
InChI KeyZUKDNGHMLJQGBV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiophenes
Subclass 2,3,5-trisubstituted thiophenes
Direct Parent 2,3,5-trisubstituted thiophenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • 2,3,5-trisubstituted thiophene
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound