Hmdb loader

Showing information for DMID02206533

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:19 UTC
Update Date2025-03-25 00:54:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206533
Frequency0.5
Structure
Chemical FormulaC8H7FO8S
Molecular Mass281.9846
SMILESO=C(O)C(O)(F)Oc1ccccc1OS(=O)(=O)O
InChI KeyIYSGVDSQKACODO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenoxyacetic acid derivatives
Direct Parent phenoxyacetic acid derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • phenol ether
  • phenoxyacetate
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • alpha-halocarboxylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • phenylsulfate
  • organic oxide
  • alkyl halide
  • arylsulfate
  • organic sulfuric acid or derivatives
  • alkyl fluoride
  • organofluoride
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound