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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:21 UTC
Update Date2025-03-25 00:49:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174703
Frequency0.5
Structure
Chemical FormulaC20H28O5
Molecular Mass348.1937
SMILESCCCCC(CC)COC(=O)C=Cc1ccc(OC(C)=O)c(OC)c1
InChI KeySIEYCAKJJYUMCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass cinnamic acids and derivatives
Direct Parent cinnamic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenol esters
  • phenoxy compounds
    • Substituents
  • enoate ester
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • aromatic homomonocyclic compound
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • cinnamic acid or derivatives
  • organic oxide
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • phenol ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound