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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:18 UTC
Update Date2025-03-25 00:46:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154214
Frequency0.5
Structure
Chemical FormulaC15H17NO6S
Molecular Mass339.0777
SMILESCOc1cc(Oc2ccc(CCN)cc2)ccc1OS(=O)(=O)O
InChI KeyKEQATAUHBSPWEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • diarylethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • ether
  • alkyl aryl ether
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound