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 IDDMID02175780
Frequency0.5
Structure
Chemical FormulaC15H20
Molecular Mass200.1565
SMILESCc1ccc(C=C2CCC(C)CC2)cc1
InChI KeyFQYDWCBIQWHIMO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent toluenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • branched unsaturated hydrocarbons
  • cyclic olefins
  • unsaturated aliphatic hydrocarbons
  • Substituents
  • aromatic homomonocyclic compound
  • cyclic olefin
  • branched unsaturated hydrocarbon
  • unsaturated aliphatic hydrocarbon
  • olefin
  • toluene
  • hydrocarbon
  • unsaturated hydrocarbon