Hmdb loader

Showing information for DMID02250656

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:33 UTC
Update Date2025-03-25 01:01:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250656
Frequency0.5
Structure
Chemical FormulaC11H9Cl2NO3
Molecular Mass272.9959
SMILESO=C1CCC(C(=O)O)(c2ccc(Cl)c(Cl)c2)N1
InChI KeyTZOFSUZEPYOUMB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • aryl chlorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dichlorobenzenes
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxoprolines
  • pyrroles
  • pyrrolidine carboxylic acids
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • organochloride
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • 1,2-dichlorobenzene
  • pyrrolidone
  • aryl chloride
  • chlorobenzene
  • oxoproline
  • azacycle
  • 2-phenylpyrrolidine
  • carboxamide group
  • aryl halide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound