Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:09 UTC
Update Date2025-03-21 18:03:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00046120
Frequency72.8
Structure
Chemical FormulaC11H14
Molecular Mass146.1096
SMILESC=C(C)c1cccc(C)c1C
InChI KeyFKIJMTKJEMUCQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropenes
Direct Parent phenylpropenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • branched unsaturated hydrocarbons
  • cyclic olefins
  • unsaturated aliphatic hydrocarbons
  • o-xylenes
  • Substituents
  • cyclic olefin
  • olefin
  • hydrocarbon
  • unsaturated hydrocarbon
  • aromatic homomonocyclic compound
  • xylene
  • o-xylene
  • branched unsaturated hydrocarbon
  • phenylpropene
  • unsaturated aliphatic hydrocarbon