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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:26 UTC
Update Date2025-03-25 00:48:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170263
Frequency0.5
Structure
Chemical FormulaC28H46O3
Molecular Mass430.3447
SMILESCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1cccc(OC)c1
InChI KeySPMRRDLBOMVGHS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty alcohol esters
Direct Parent fatty alcohol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • cinnamic acids and derivatives
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • enoate ester
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • fatty alcohol ester
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • aromatic homomonocyclic compound
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • cinnamic acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound