Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:40 UTC
Update Date2025-03-21 18:34:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00099686
Frequency27.5
Structure
Chemical FormulaC15H12BrNO
Molecular Mass301.0102
SMILESOC(c1ccc(Br)cc1)c1c[nH]c2ccccc12
InChI KeyUMMJUOJEDCGOMP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • aryl bromides
  • azacyclic compounds
  • bromobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organobromides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • indole
  • organohalogen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • heteroaromatic compound
  • bromobenzene
  • aryl halide
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • organobromide
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • aryl bromide
  • organooxygen compound