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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:24 UTC
Update Date2025-03-21 18:03:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00044302
Frequency76.4
Structure
Chemical FormulaC11H12O5
Molecular Mass224.0685
SMILESO=C(O)CCCC(=O)Oc1ccc(O)cc1
InChI KeyUSZQHFCBERSGQE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound