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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:42 UTC
Update Date2025-03-25 00:46:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155165
Frequency0.5
Structure
Chemical FormulaC21H28O2
Molecular Mass312.2089
SMILESCc1cc(C(C)(C)C)c(Oc2ccc(O)cc2)c(C(C)(C)C)c1
InChI KeyLBACJZUADJMXKN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • diarylethers
  • hydrocarbon derivatives
  • phenol ethers
  • phenoxy compounds
  • phenylpropanes
  • toluenes
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • toluene
  • diphenylether
  • organooxygen compound