Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:09 UTC
Update Date2025-03-25 00:47:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165088
Frequency0.5
Structure
Chemical FormulaC17H22
Molecular Mass226.1722
SMILESCC=CC(C=CCCCC)=Cc1ccccc1
InChI KeyFGQHTMOWMRPFDF-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
  • cyclic olefins
  • unsaturated aliphatic hydrocarbons
  • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • cyclic olefin
  • branched unsaturated hydrocarbon
  • unsaturated aliphatic hydrocarbon
  • olefin
  • hydrocarbon
  • unsaturated hydrocarbon