Hmdb loader

Showing information for DMID02221581

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:44 UTC
Update Date2025-03-25 00:56:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221581
Frequency0.5
Structure
Chemical FormulaC10H7Cl2NO4
Molecular Mass274.9752
SMILESO=C(O)CC1(O)C(O)=Nc2cc(Cl)c(Cl)cc21
InChI KeyHWKXUCPYKZHEGC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent 3-alkylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tertiary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • organochloride
  • 3-alkylindole
  • carboxylic acid derivative
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • aryl halide
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound