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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:34 UTC
Update Date2025-03-21 18:06:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00065889
Frequency46.4
Structure
Chemical FormulaC16H18O3
Molecular Mass258.1256
SMILESCOc1ccc(O)c(C(C)(C)c2ccc(O)cc2)c1
InChI KeyRJESTGVXNMXJLZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4-alkoxyphenols
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • phenoxy compounds
  • phenylpropanes
    • Substituents
  • diphenylmethane
  • phenol ether
  • 4-alkoxyphenol
  • ether
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound