Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:54 UTC
Update Date2025-03-21 18:35:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107678
Frequency24.9
Structure
Chemical FormulaC13H18
Molecular Mass174.1409
SMILESCC(C)=CCCCc1ccccc1
InChI KeyJDUCULFLFFSUAH-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