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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:52 UTC
Update Date2025-03-25 00:46:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157702
Frequency0.5
Structure
Chemical FormulaC13H16O6
Molecular Mass268.0947
SMILESO=C(O)CCC(O)C(CC(=O)O)c1cccc(O)c1
InChI KeySIYUSICAPSMPNA-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • carbocyclic fatty acid
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • fatty acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • benzenoid
  • organooxygen compound