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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:53 UTC
Update Date2025-03-21 18:03:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00043036
Frequency79.2
Structure
Chemical FormulaC10H7BrO
Molecular Mass221.968
SMILESOc1cccc2ccc(Br)cc12
InChI KeySTJXOXMPODAEAK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthols and derivatives
Direct Parent naphthols and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl bromides
  • hydrocarbon derivatives
  • organobromides
  • organooxygen compounds
    • Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • organic oxygen compound
  • organobromide
  • hydrocarbon derivative
  • 1-naphthol
  • aryl bromide
  • organooxygen compound