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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:05 UTC
Update Date2025-03-25 01:00:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244988
Frequency0.5
Structure
Chemical FormulaC15H20O11S
Molecular Mass408.0726
SMILESCCc1ccc(OC2OC(C(=O)O)C(O)C(O)C(O)C2OS(=O)(=O)O)cc1
InChI KeyGNBOMOUIKCSZNN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl sulfates
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxepanes
  • phenoxy compounds
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • alkyl sulfate
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • oxepane
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound