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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:54 UTC
Update Date2025-03-21 18:33:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00097825
Frequency28.2
Structure
Chemical FormulaC8H7BrO
Molecular Mass197.968
SMILESBrc1ccc2c(c1)OCC2
InChI KeyBQWBDYZMUCSEHK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl bromides
  • benzenoids
  • hydrocarbon derivatives
  • organobromides
  • oxacyclic compounds
    • Substituents
  • ether
  • alkyl aryl ether
  • organohalogen compound
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organobromide
  • hydrocarbon derivative
  • benzenoid
  • aryl bromide
  • coumaran
  • organooxygen compound