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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:25 UTC
Update Date2025-03-25 00:49:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172537
Frequency0.5
Structure
Chemical FormulaC18H25NO5S
Molecular Mass367.1453
SMILESCCC1=C(C)C(=O)NC1Cc1ccc(C(C)(C)C)c(OS(=O)(=O)O)c1
InChI KeyOXKQFGGQNWLMLX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass arylsulfates
Direct Parent phenylsulfates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • phenylpropanes
  • pyrrolines
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • phenylpropane
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound