Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:50 UTC
Update Date2025-03-25 00:52:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196230
Frequency0.5
Structure
Chemical FormulaC16H20
Molecular Mass212.1565
SMILESCC1=CCC(C(C)C)=Cc2cc(C)ccc21
InChI KeyGPTLQMHUWVANDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
ClassNot Available
Subclass benzenoids
Direct Parent benzenoids
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • branched unsaturated hydrocarbons
  • cyclic olefins
  • polycyclic hydrocarbons
  • unsaturated aliphatic hydrocarbons
  • Substituents
  • cyclic olefin
  • branched unsaturated hydrocarbon
  • unsaturated aliphatic hydrocarbon
  • olefin
  • aromatic homopolycyclic compound
  • benzenoid
  • polycyclic hydrocarbon
  • hydrocarbon
  • unsaturated hydrocarbon