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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:24 UTC
Update Date2025-03-25 00:55:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211515
Frequency0.5
Structure
Chemical FormulaC10H12ClN3O5
Molecular Mass289.0465
SMILESCC(=O)Nc1ccn(C2OC(Cl)C(O)C2O)c(=O)n1
InChI KeyPUIZJBAGLSNSFT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-acetylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • acetamides
  • alkyl chlorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chlorohydrins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrimidones
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • chlorohydrin
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • alkyl chloride
  • organochloride
  • monosaccharide
  • pyrimidone
  • carboxylic acid derivative
  • organohalogen compound
  • pyrimidine
  • saccharide
  • organic oxide
  • organopnictogen compound
  • alkyl halide
  • imidolactam
  • organoheterocyclic compound
  • acetamide
  • 1,2-diol
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • halohydrin
  • heteroaromatic compound
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound