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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:27 UTC
Update Date2025-03-21 18:37:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116279
Frequency22.6
Structure
Chemical FormulaC19H22O8S
Molecular Mass410.1035
SMILESCOc1cc(CCC(=O)CCc2ccc(OS(=O)(=O)O)c(OC)c2)ccc1O
InChI KeySNAHWCLQAIAHRJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent paradols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • ketones
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • paradol
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound