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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:30 UTC
Update Date2025-03-25 00:46:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154676
Frequency0.5
Structure
Chemical FormulaC18H20O9S
Molecular Mass412.0828
SMILESCOc1ccc(C2CC(OS(=O)(=O)O)C(c3ccc(O)c(OC)c3)O2)cc1O
InChI KeyZUWJSFZIUXQREC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkyl sulfates
  • anisoles
  • dialkyl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • dialkyl ether
  • organic oxide
  • alkyl sulfate
  • organoheterocyclic compound
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound