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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:43 UTC
Update Date2025-03-25 00:47:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164054
Frequency0.5
Structure
Chemical FormulaC13H22
Molecular Mass178.1722
SMILESCC1=C(C)C(C)(CC(C)C)C=CC1
InChI KeyQUGNFXPKKAHVLJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasshydrocarbons
Classunsaturated hydrocarbons
Subclass branched unsaturated hydrocarbons
Direct Parent branched unsaturated hydrocarbons
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic olefins
  • unsaturated aliphatic hydrocarbons
    • Substituents
  • cyclic olefin
  • branched unsaturated hydrocarbon
  • aliphatic homomonocyclic compound
  • unsaturated aliphatic hydrocarbon
  • olefin