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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:36 UTC
Update Date2025-03-25 01:01:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250788
Frequency0.5
Structure
Chemical FormulaC11H8O6
Molecular Mass236.0321
SMILESO=C(O)C=CC(=O)Oc1ccc(C(=O)O)cc1
InChI KeyLLRHBEIQHPORKD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
  • phenoxy compounds
  • tricarboxylic acids and derivatives
    • Substituents
  • enoate ester
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • benzoic acid or derivatives
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • hydrocarbon derivative
  • benzoic acid
  • phenoxy compound
  • organooxygen compound