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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:41 UTC
Update Date2025-03-25 00:52:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193646
Frequency0.5
Structure
Chemical FormulaC11H10O2S
Molecular Mass206.0402
SMILESCCc1sc2ccccc2c1C(=O)O
InChI KeySQMVIFKMEHZNMI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiophenes
Subclass 1-benzothiophenes
Direct Parent 1-benzothiophenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • thiophene carboxylic acids
    • Substituents
  • carboxylic acid
  • thiophene carboxylic acid
  • heteroaromatic compound
  • thiophene
  • carboxylic acid derivative
  • thiophene carboxylic acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 1-benzothiophene
  • hydrocarbon derivative
  • benzenoid
  • 1-carboxy-2-haloaromatic compound
  • organooxygen compound