Hmdb loader

Showing information for DMID02167104

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:01 UTC
Update Date2025-03-25 00:48:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02167104
Frequency0.5
Structure
Chemical FormulaC10H9ClO4
Molecular Mass228.0189
SMILESCC(C(=O)O)c1ccc(Cl)c(C(=O)O)c1
InChI KeyHMLIFSHJQCGEDK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 2-halobenzoic acids
  • aryl chlorides
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • chlorobenzenes
  • dicarboxylic acids and derivatives
  • halobenzoic acids
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • vinylogous halides
    • Substituents
  • monocyclic benzene moiety
  • 2-halobenzoic acid
  • carbonyl group
  • carboxylic acid
  • organochloride
  • benzoyl
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • 2-phenylpropanoic-acid
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • aryl chloride
  • chlorobenzene
  • halobenzoic acid
  • benzoic acid or derivatives
  • halobenzoic acid or derivatives
  • vinylogous halide
  • 2-halobenzoic acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound