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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:26 UTC
Update Date2025-03-21 18:40:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130481
Frequency19.4
Structure
Chemical FormulaC10H14O
Molecular Mass150.1045
SMILESCc1c(O)cccc1C(C)C
InChI KeyNKXINWNCBKRRIC-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-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • organooxygen compounds
  • ortho cresols
  • phenylpropanes
  • toluenes
    • Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • o-cresol
  • phenol
  • cumene
  • hydrocarbon derivative
  • toluene
  • organooxygen compound