Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:04 UTC
Update Date2025-03-25 00:45:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02148953
Frequency0.5
Structure
Chemical FormulaC9H12
Molecular Mass120.0939
SMILESCC1=CC2C=C1C2(C)C
InChI KeyPYEHBAFWZZAZTJ-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