Hmdb loader

Showing information for DMID02220836

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:25 UTC
Update Date2025-03-25 00:56:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220836
Frequency0.5
Structure
Chemical FormulaC15H13NO6S
Molecular Mass335.0464
SMILESO=C1CC(c2ccc(O)cc2)c2cc(OS(=O)(=O)O)ccc2N1
InChI KeyNPXMOGAROYREIY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass phenylquinolines
Direct Parent phenylquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • arylsulfates
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroquinolones
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • lactam
  • phenylquinoline
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • tetrahydroquinoline
  • quinolone
  • tetrahydroquinolone
  • organic sulfuric acid or derivatives
  • azacycle
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound