Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:48:50 UTC
Update Date2025-03-21 18:01:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00035711
Frequency99.6
Structure
Chemical FormulaC10H10Cl2O2
Molecular Mass232.0058
SMILESCC(=O)OC(c1ccccc1)C(Cl)Cl
InChI KeyOUBNRGWVCFIKMP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzyloxycarbonyls
Direct Parent benzyloxycarbonyls
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • Substituents
  • benzyloxycarbonyl
  • carbonyl group
  • alkyl chloride
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound