Hmdb loader

Showing information for DMID00093827

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:15 UTC
Update Date2025-03-21 18:33:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00093827
Frequency55.6
Structure
Chemical FormulaC8H7N3O5S
Molecular Mass257.0106
SMILESNc1nc(=O)c2cccc(OS(=O)(=O)O)c2[nH]1
InChI KeyLBKZVJAVKULEGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolinamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • arylsulfates
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • sulfuric acid monoesters
  • vinylogous amides
    • Substituents
  • sulfuric acid monoester
  • pyrimidone
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • vinylogous amide
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • quinazolinamine
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • organooxygen compound