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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:06 UTC
Update Date2025-03-25 00:55:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210760
Frequency0.5
Structure
Chemical FormulaC16H15BrO2
Molecular Mass318.0255
SMILESC=CCc1ccc(Oc2ccc(Br)cc2)c(OC)c1
InChI KeyNIGMBKFEYJKZDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent bromodiphenyl ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aryl bromides
  • bromobenzenes
  • diarylethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • organobromides
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • bromodiphenyl ether
  • bromobenzene
  • alkyl aryl ether
  • organohalogen compound
  • methoxybenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • organobromide
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • organooxygen compound