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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:06 UTC
Update Date2025-03-25 00:47:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164947
Frequency0.5
Structure
Chemical FormulaC13H26
Molecular Mass182.2035
SMILESCC=C(CCC(C)C(C)C)C(C)C
InChI KeyVBYRCCOUWPBJEA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasshydrocarbons
Classunsaturated hydrocarbons
Subclass branched unsaturated hydrocarbons
Direct Parent branched unsaturated hydrocarbons
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkenes
  • unsaturated aliphatic hydrocarbons
    • Substituents
  • aliphatic acyclic compound
  • branched unsaturated hydrocarbon
  • alkene
  • unsaturated aliphatic hydrocarbon
  • olefin
  • acyclic olefin