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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:03 UTC
Update Date2025-03-25 00:52:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194467
Frequency0.5
Structure
Chemical FormulaC15H22O3S
Molecular Mass282.129
SMILESCCCCCCCc1scc(CCC(=O)O)c1C=O
InChI KeyHSRBKVZKLXIFHA-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
  • aryl-aldehydes
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • aldehyde
  • carboxylic acid derivative
  • thiophene carboxylic acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • aryl-aldehyde
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound