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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:11 UTC
Update Date2025-03-21 18:28:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00072186
Frequency41.4
Structure
Chemical FormulaC12H16N2O5S
Molecular Mass300.078
SMILESCC(=O)N1CCN(c2ccc(OS(=O)(=O)O)cc2)CC1
InChI KeyKUVIROTXIPANEW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • aniline and substituted anilines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylarylamines
  • hydrocarbon derivatives
  • n-arylpiperazines
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
  • tertiary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • carboxylic acid derivative
  • phenylsulfate
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • dialkylarylamine
  • tertiary amine
  • acetamide
  • organic sulfuric acid or derivatives
  • azacycle
  • aniline or substituted anilines
  • carboxamide group
  • phenylpiperazine
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • amine
  • n-arylpiperazine
  • organooxygen compound