Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:13 UTC
Update Date2025-03-25 00:51:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185809
Frequency0.5
Structure
Chemical FormulaC13H10N2O3S
Molecular Mass274.0412
SMILESNc1nc2c(S(=O)(=O)O)cccc2c2ccccc12
InChI KeyAGKQHUYKSYHJFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass benzoquinolines
Direct Parent phenanthridines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-sulfo,2-unsubstituted aromatic compounds
  • 2-halopyridines
  • arylsulfonic acids and derivatives
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • isoquinolines and derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids
  • polyhalopyridines
  • primary amines
  • sulfonyls
  • Substituents
  • organosulfonic acid or derivatives
  • polyhalopyridine
  • organosulfonic acid
  • organosulfur compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • 1-sulfo,2-unsubstituted aromatic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • sulfonyl
  • pyridine
  • arylsulfonic acid or derivatives
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • isoquinoline
  • hydrocarbon derivative
  • benzenoid
  • phenanthridine
  • primary amine
  • organic nitrogen compound
  • amine