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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:59 UTC
Update Date2025-03-25 00:46:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157972
Frequency0.5
Structure
Chemical FormulaC11H10O7
Molecular Mass254.0427
SMILESO=C(O)Cc1ccc(OC(=O)C(O)C(=O)O)cc1
InChI KeyJYTQMVHRLCKBFC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alpha hydroxy acids and derivatives
  • carboxylic acid esters
  • carboxylic acids
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • phenoxy compounds
  • secondary alcohols
  • tricarboxylic acids and derivatives
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • tricarboxylic acid or derivatives
  • hydroxy acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • saccharide
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • phenoxy compound
  • organooxygen compound