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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:19 UTC
Update Date2025-03-25 00:45:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149539
Frequency0.5
Structure
Chemical FormulaC21H36O2
Molecular Mass320.2715
SMILESCCCCCCCCCCCCCCc1cc(O)c(C)c(O)c1
InChI KeyWTQGAFIMKYOOKB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • organooxygen compounds
  • ortho cresols
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • o-cresol
  • hydrocarbon derivative
  • toluene
  • organooxygen compound