Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:45 UTC
Update Date2025-03-21 17:58:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00016992
Frequency249.7
Structure
Chemical FormulaC11H16
Molecular Mass148.1252
SMILESCc1cc(C)cc(C(C)C)c1
InChI KeyRMKJTYPFCFNTGQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass cumenes
Direct Parent cumenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • phenylpropanes
  • saturated hydrocarbons
  • m-xylenes
  • Substituents
  • phenylpropane
  • aromatic homomonocyclic compound
  • xylene
  • saturated hydrocarbon
  • m-xylene
  • cumene
  • hydrocarbon