Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:48:52 UTC
Update Date2025-03-21 18:02:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00035814
Frequency99.2
Structure
Chemical FormulaC13H20O
Molecular Mass192.1514
SMILESCC(C)c1cccc(C(C)(C)C)c1O
InChI KeyLBLLGKZRDSWOJS-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
  • phenylpropanes
  • Substituents
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenol
  • cumene
  • hydrocarbon derivative
  • 1-hydroxy-4-unsubstituted benzenoid
  • organooxygen compound