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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:18 UTC
Update Date2025-03-25 00:48:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165450
Frequency0.5
Structure
Chemical FormulaC27H34O5
Molecular Mass438.2406
SMILESCCC(C)(C)C(=O)OC1CC(C)C=C2C=CCC(OC(=O)C=Cc3ccc(OC)cc3)C21
InChI KeyDWPWMVFUOHIQOF-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 homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
    • Substituents
  • enoate ester
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • cinnamic acid or derivatives
  • organic oxide
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound