Hmdb loader

Showing information for DMID00033213

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:47 UTC
Update Date2025-03-21 18:01:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00033213
Frequency109.4
Structure
Chemical FormulaC9Cl3N3
Molecular Mass254.9158
SMILESN#Cc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl
InChI KeyLBLQEGBXQYLSEP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzonitriles
Direct Parent benzonitriles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • chlorobenzenes
  • hydrocarbon derivatives
  • nitriles
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • nitrile
  • organochloride
  • organohalogen compound
  • benzonitrile
  • aryl halide
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • carbonitrile