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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:44 UTC
Update Date2025-03-25 00:55:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02212312
Frequency0.5
Structure
Chemical FormulaC29H52O3
Molecular Mass448.3916
SMILESCCCCCCCCCCCCCCCCCCCCCc1ccc(O)c(OCOC)c1
InChI KeyOPYXNUZAQANZEH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • hydrocarbon derivatives
  • organooxygen compounds
  • phenoxy compounds
    • Substituents
  • aromatic homomonocyclic compound
  • phenol ether
  • monocyclic benzene moiety
  • organic oxygen compound
  • acetal
  • 1-hydroxy-2-unsubstituted benzenoid
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound