Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:31 UTC
Update Date2025-03-25 00:45:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150002
Frequency0.5
Structure
Chemical FormulaC29H52O
Molecular Mass416.4018
SMILESCCCCCCCCCCCCCCCCCCCc1ccc(C)c(O)c1C(C)C
InChI KeyBTXQAUIGDZVSHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass cumenes
Direct Parent cumenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • organooxygen compounds
  • ortho cresols
  • phenylpropanes
  • toluenes
  • Substituents
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • o-cresol
  • phenol
  • cumene
  • hydrocarbon derivative
  • toluene
  • organooxygen compound