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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:21 UTC
Update Date2025-03-25 01:01:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250196
Frequency0.5
Structure
Chemical FormulaC16H14O6
Molecular Mass302.079
SMILESO=C(O)c1ccccc1Oc1ccc(CC(O)C(=O)O)cc1
InChI KeyBRASAGCWFQELDF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • alpha hydroxy acids and derivatives
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • diarylethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • phenol ethers
  • phenoxy compounds
  • phenylpropanoic acids
  • secondary alcohols
    • Substituents
  • diaryl ether
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • alpha-hydroxy acid
  • benzoyl
  • carboxylic acid derivative
  • organic oxide
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • alcohol
  • benzoic acid or derivatives
  • hydroxy acid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • diphenylether
  • organooxygen compound