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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:31 UTC
Update Date2025-03-25 01:01:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250603
Frequency0.5
Structure
Chemical FormulaC17H15BrO4
Molecular Mass362.0154
SMILESO=C1CCC(Cc2ccc(Oc3ccc(O)cc3)c(Br)c2)O1
InChI KeyWJSANYGHGNTGIS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent bromodiphenyl ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl bromides
  • bromobenzenes
  • carbonyl compounds
  • carboxylic acid esters
  • diarylethers
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organobromides
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • tetrahydrofurans
    • Substituents
  • diaryl ether
  • phenol ether
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • bromodiphenyl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • lactone
  • organic oxide
  • organoheterocyclic compound
  • tetrahydrofuran
  • bromobenzene
  • gamma butyrolactone
  • aryl halide
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organobromide
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • organooxygen compound