Hmdb loader

Showing information for DMID00036705

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:14 UTC
Update Date2025-03-21 18:02:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00036705
Frequency96.2
Structure
Chemical FormulaC8H7ClO3
Molecular Mass186.0084
SMILESO=C(O)Cc1cc(Cl)ccc1O
InChI KeyMXOUPSVVAIWFKQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetic acids
Direct Parent 2(hydroxyphenyl)acetic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • p-chlorophenols
    • Substituents
  • aryl chloride
  • chlorobenzene
  • carbonyl group
  • carboxylic acid
  • 4-chlorophenol
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 4-halophenol
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound
  • 2(hydroxyphenyl)acetic acid