Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:37:58 UTC
Update Date2025-03-24 21:16:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01725355
Frequency0.7
Structure
Chemical FormulaC9H12
Molecular Mass120.0939
SMILESCC1=CC2C=CC1(C)C2
InChI KeyOCJWJTQAOBPNAU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasshydrocarbons
Classpolycyclic hydrocarbons
Subclass polycyclic hydrocarbons
Direct Parent polycyclic hydrocarbons
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • branched unsaturated hydrocarbons
  • cyclic olefins
  • unsaturated aliphatic hydrocarbons
  • Substituents
  • cyclic olefin
  • branched unsaturated hydrocarbon
  • unsaturated aliphatic hydrocarbon
  • olefin
  • polycyclic hydrocarbon
  • unsaturated hydrocarbon
  • aliphatic homopolycyclic compound