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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:40 UTC
Update Date2025-03-25 00:51:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186896
Frequency0.5
Structure
Chemical FormulaC9H12N2O3S
Molecular Mass228.0569
SMILESNS(=O)(=O)c1cc2c(cc1O)NCCC2
InChI KeyGJGRAZJXMXQZRQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass hydroquinolines
Direct Parent hydroquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aminosulfonyl compounds
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • secondary alkylarylamines
  • Substituents
  • organosulfonic acid or derivatives
  • azacycle
  • aminosulfonyl compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • organosulfur compound
  • secondary aliphatic/aromatic amine
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • tetrahydroquinoline
  • amine
  • organooxygen compound