Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:00 UTC
Update Date2025-03-25 01:00:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242422
Frequency0.5
Structure
Chemical FormulaC12H14
Molecular Mass158.1096
SMILESC=Cc1cccc(C(C)=CC)c1
InChI KeyLEAPZPLONQKCIH-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
  • Substituents
  • aromatic homomonocyclic compound
  • cyclic olefin
  • branched unsaturated hydrocarbon
  • phenylpropene
  • unsaturated aliphatic hydrocarbon
  • olefin
  • hydrocarbon
  • unsaturated hydrocarbon