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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:23:26 UTC
Update Date2025-03-25 01:02:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02254893
Frequency0.5
Structure
Chemical FormulaC16H22
Molecular Mass214.1722
SMILESCC1=CC(C)(C)C(C)(C)c2cccc(C)c21
InChI KeyKZCJFTXQKWYPRW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • branched unsaturated hydrocarbons
  • cyclic olefins
  • polycyclic hydrocarbons
  • unsaturated aliphatic hydrocarbons
    • Substituents
  • cyclic olefin
  • naphthalene
  • branched unsaturated hydrocarbon
  • unsaturated aliphatic hydrocarbon
  • olefin
  • aromatic homopolycyclic compound
  • polycyclic hydrocarbon
  • hydrocarbon
  • unsaturated hydrocarbon