Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:28 UTC
Update Date2025-03-25 00:58:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02229789
Frequency0.5
Structure
Chemical FormulaC14H22
Molecular Mass190.1722
SMILESCCCC(C)Cc1cc(C)ccc1C
InChI KeyHWQWFYHRUSFSTB-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
  • p-xylenes
  • Substituents
  • phenylpropane
  • aromatic homomonocyclic compound
  • xylene
  • saturated hydrocarbon
  • p-xylene
  • hydrocarbon