Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:49 UTC
Update Date2025-03-25 00:49:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175786
Frequency0.5
Structure
Chemical FormulaC17H22
Molecular Mass226.1722
SMILESCC1=C(C=Cc2ccccc2)C(C)(C)CCC1
InChI KeyYJNXGAVYDUQYMI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • branched unsaturated hydrocarbons
  • cycloalkenes
  • unsaturated aliphatic hydrocarbons
  • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • cyclic olefin
  • branched unsaturated hydrocarbon
  • cycloalkene
  • unsaturated aliphatic hydrocarbon
  • olefin
  • hydrocarbon
  • unsaturated hydrocarbon