Hmdb loader

Showing information for DMID02164920

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:05 UTC
Update Date2025-03-25 00:47:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164920
Frequency0.5
Structure
Chemical FormulaC11H12O6S
Molecular Mass272.0355
SMILESCC=C(Cc1ccc(OS(=O)(=O)O)cc1)C(=O)O
InChI KeyFPEPRTWUWWCHSB-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
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • sulfuric acid monoester
  • carboxylic acid
  • organic sulfuric acid or derivatives
  • 3-phenylpropanoic-acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • phenylsulfate
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound