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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:12 UTC
Update Date2025-03-21 18:32:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091255
Frequency30.8
Structure
Chemical FormulaC12H16O
Molecular Mass176.1201
SMILESC=C(C)c1cc(C(C)C)ccc1O
InChI KeyDKHWPNVCJJOQCX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropenes
Direct Parent phenylpropenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • cumenes
  • hydrocarbon derivatives
  • organooxygen compounds
  • phenylpropanes
    • Substituents
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenylpropene
  • 1-hydroxy-2-unsubstituted benzenoid
  • phenol
  • cumene
  • hydrocarbon derivative
  • organooxygen compound