Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:42 UTC
Update Date2025-03-21 18:39:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123937
Frequency20.8
Structure
Chemical FormulaC13H20
Molecular Mass176.1565
SMILESCc1ccc(C(C)(C)C(C)C)cc1
InChI KeyUZTJXJRNZRPKNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • saturated hydrocarbons
  • toluenes
  • Substituents
  • phenylpropane
  • aromatic homomonocyclic compound
  • saturated hydrocarbon
  • toluene
  • hydrocarbon