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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:39 UTC
Update Date2025-03-25 00:51:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186838
Frequency0.5
Structure
Chemical FormulaC16H18N2O6S
Molecular Mass366.0886
SMILESNCCc1ccc(Oc2ccc(CC(N)=O)cc2)c(OS(=O)(=O)O)c1
InChI KeyXHUAYSNHTZOFKY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • diarylethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenylacetamides
  • phenylsulfates
  • primary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • primary carboxylic acid amide
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid derivative
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • phenylacetamide
  • organic sulfuric acid or derivatives
  • carboxamide group
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound