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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:34 UTC
Update Date2025-03-25 01:01:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250721
Frequency0.5
Structure
Chemical FormulaC15H18O6
Molecular Mass294.1103
SMILESO=C(O)CC1CCC(C(Cc2cccc(O)c2)C(=O)O)O1
InChI KeyTXOFUQJAHJCVEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • dialkyl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound