Hmdb loader

Showing information for DMID02236108

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:13 UTC
Update Date2025-03-25 00:59:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236108
Frequency0.5
Structure
Chemical FormulaC18H16Cl2O8S
Molecular Mass461.9943
SMILESCOc1cc(CC2CCC(=O)O2)cc(Oc2ccc(Cl)cc2Cl)c1OS(=O)(=O)O
InChI KeyYDGOCRNBERCLNA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acid esters
  • diarylethers
  • dichlorobenzenes
  • gamma butyrolactones
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • organochloride
  • alkyl aryl ether
  • carboxylic acid derivative
  • organohalogen compound
  • 1,3-dichlorobenzene
  • lactone
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • methoxybenzene
  • gamma butyrolactone
  • aryl halide
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • sulfate-ester
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound