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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:22 UTC
Update Date2025-03-25 00:51:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186163
Frequency0.5
Structure
Chemical FormulaC16H14O5
Molecular Mass286.0841
SMILESO=C(C=Cc1ccco1)OC(Cc1ccccc1)C(=O)O
InChI KeyPGWCTCBNQSFLSG-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
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • enoate ester
  • fatty acyl
  • furan
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • heteroaromatic compound
  • carboxylic acid derivative
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound