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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:15 UTC
Update Date2025-03-25 01:01:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252264
Frequency0.5
Structure
Chemical FormulaC13H16ClN3O7S
Molecular Mass393.0397
SMILESNS(=O)(=O)c1cc2c(cc1Cl)C(=O)N(C1OC(CO)C(O)C1O)CN2
InChI KeyHVXQLPFIYDERCB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • aminosulfonyl compounds
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • carboxylic acids and derivatives
  • diazanaphthalenes
  • hydrocarbon derivatives
  • lactams
  • monosaccharides
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • secondary alkylarylamines
  • tertiary carboxylic acid amides
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • organosulfonic acid or derivatives
  • lactam
  • amino acid or derivatives
  • organochloride
  • monosaccharide
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organosulfonic acid amide
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • aryl chloride
  • alcohol
  • vinylogous amide
  • azacycle
  • aminosulfonyl compound
  • tetrahydrofuran
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • aryl halide
  • oxacycle
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • quinazoline
  • organooxygen compound
  • amine