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Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:22:21 UTC
Update Date2025-03-21 18:37:31 UTC
HMDB IDHMDB0304915
Metabolite Identification
DeepMet IDDMID00116047
Name2-(4-Methoxyphenyl)ethyl hydrogen sulfate
Frequency22.6
Structure
Chemical FormulaC9H12O5S
Molecular Mass232.0405
SMILESCOc1ccc(CCOS(=O)(=O)O)cc1
InChI KeyLIEMNMRUKMNDIT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass tyrosols and derivatives
Direct Parent tyrosols and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alkyl sulfates
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • organic sulfuric acid or derivatives
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • tyrosol derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound