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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:51 UTC
Update Date2025-03-21 18:01:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00033368
Frequency108.8
Structure
Chemical FormulaC9H10O7S
Molecular Mass262.0147
SMILESCOC(=O)c1ccc(OS(=O)(=O)O)c(OC)c1
InChI KeyIWRNHPTWPBSQSA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent m-methoxybenzoic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • benzoic acid esters
  • benzoyl derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • sulfuric acid monoester
  • ether
  • benzoyl
  • benzoate ester
  • alkyl aryl ether
  • carboxylic acid derivative
  • phenylsulfate
  • organic oxide
  • methyl ester
  • arylsulfate
  • m-methoxybenzoic acid or derivatives
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • sulfate-ester
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound