Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:00 UTC
Update Date2025-03-21 18:35:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105435
Frequency25.6
Structure
Chemical FormulaC12H14
Molecular Mass158.1096
SMILESC=CCC(C)=Cc1ccccc1
InChI KeyHEFNUDYLWGTPRK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • branched unsaturated hydrocarbons
  • cyclic olefins
  • unsaturated aliphatic hydrocarbons
  • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • cyclic olefin
  • branched unsaturated hydrocarbon
  • unsaturated aliphatic hydrocarbon
  • olefin
  • hydrocarbon
  • unsaturated hydrocarbon