Hmdb loader

Showing information for DMID02239363

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:41 UTC
Update Date2025-03-25 00:59:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239363
Frequency0.5
Structure
Chemical FormulaC11H12N2O3S
Molecular Mass252.0569
SMILESO=S(=O)(O)CCNc1cccc2cccnc12
InChI KeyNLFHHRMRCYZLSX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolines and derivatives
Direct Parent quinolines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids
  • polyhalopyridines
  • secondary alkylarylamines
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • polyhalopyridine
  • organosulfonic acid
  • organosulfur compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • sulfonyl
  • pyridine
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine