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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:50 UTC
Update Date2025-03-25 00:56:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219481
Frequency0.5
Structure
Chemical FormulaC11H12O8S
Molecular Mass304.0253
SMILESCOc1cc(CC(=O)OS(=O)(=O)O)ccc1OC(C)=O
InChI KeySKELUGGXQNDNLO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • organic sulfuric acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • phenol ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound