Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:31 UTC
Update Date2025-03-21 18:36:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00109169
Frequency24.5
Structure
Chemical FormulaC13H20
Molecular Mass176.1565
SMILESCC1=CCC2C(C1)C(C)=CC2(C)C
InChI KeyIPMZCCBUSLFGBR-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