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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:30 UTC
Update Date2025-03-25 00:50:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179656
Frequency0.5
Structure
Chemical FormulaC11H11NO2S
Molecular Mass221.051
SMILESCSC1=NC(C(=O)O)Cc2ccccc21
InChI KeyWPBCQDKCRZWYDT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydroisoquinolines
Subclass dihydroisoquinolines
Direct Parent dihydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • imidothiolactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • dihydroisoquinoline
  • sulfenyl compound
  • azacycle
  • organic 1,3-dipolar compound
  • alpha-amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • imidothiolactone
  • organooxygen compound