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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:20 UTC
Update Date2025-03-21 18:06:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00062927
Frequency49.2
Structure
Chemical FormulaC15H21N3O4S
Molecular Mass339.1253
SMILESO=S1(=O)N=C(N2CCN(CCOCCO)CC2)c2ccccc21
InChI KeyDBGIGMXUAXJRBI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazoles
Subclass benzothiazoles
Direct Parent benzothiazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • amidines
  • azacyclic compounds
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • imidolactams
  • n-alkylpiperazines
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids and derivatives
  • trialkylamines
    • Substituents
  • organosulfonic acid or derivatives
  • ether
  • amidine
  • dialkyl ether
  • 1,2-benzothiazole
  • organic oxide
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • tertiary amine
  • alcohol
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • 1,4-diazinane
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound