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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:24 UTC
Update Date2025-03-25 01:01:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248018
Frequency0.5
Structure
Chemical FormulaC29H48O6
Molecular Mass492.3451
SMILESCCCCCCCCCCCCCCCCCC(=O)OCOC(=O)CCc1ccc(O)c(OC)c1
InChI KeyRFPVJFFPYXFAHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • acylals
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • acylal
  • organic oxide
  • acetal
  • methoxybenzene
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound