Hmdb loader

Showing information for DMID02171782

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:05 UTC
Update Date2025-03-25 00:49:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171782
Frequency0.5
Structure
Chemical FormulaC20H22Cl3NO
Molecular Mass397.0767
SMILESCN(C)CCC1(O)CCC(c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc21
InChI KeyKNTSNCGWEATPMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • aryl chlorides
  • dichlorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aryl chloride
  • chlorobenzene
  • alcohol
  • tetralin
  • monocyclic benzene moiety
  • 1,3-aminoalcohol
  • organochloride
  • tertiary aliphatic amine
  • aromatic homopolycyclic compound
  • organohalogen compound
  • aryl halide
  • tertiary alcohol
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,2-dichlorobenzene
  • organic nitrogen compound
  • halobenzene
  • amine
  • tertiary amine
  • organooxygen compound