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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:07 UTC
Update Date2025-03-21 18:35:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105706
Frequency25.5
Structure
Chemical FormulaC15H14O5
Molecular Mass274.0841
SMILESO=C(O)CCc1ccc(O)c(Oc2ccc(O)cc2)c1
InChI KeyUSMIISIKXGSOJR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acids
  • diarylethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenol ethers
  • phenoxy compounds
  • phenylpropanoic acids
    • Substituents
  • diaryl ether
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • diphenylether
  • organooxygen compound