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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:17 UTC
Update Date2025-03-25 00:49:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172231
Frequency0.5
Structure
Chemical FormulaC15H18N2O4S
Molecular Mass322.0987
SMILESCN1CCN(c2cccc3cc(OS(=O)(=O)O)ccc23)CC1
InChI KeyCBHYXQVIKBYGAI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent n-arylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • arylsulfates
  • azacyclic compounds
  • dialkylarylamines
  • hydrocarbon derivatives
  • n-methylpiperazines
  • naphthalenes
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • sulfuric acid monoesters
  • trialkylamines
    • Substituents
  • sulfuric acid monoester
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • dialkylarylamine
  • tertiary amine
  • organic sulfuric acid or derivatives
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • n-methylpiperazine
  • naphthalene
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • n-arylpiperazine
  • organooxygen compound