Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:19 UTC
Update Date2025-03-25 00:58:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234023
Frequency0.5
Structure
Chemical FormulaC14H20
Molecular Mass188.1565
SMILESC=C(C)C(C)Cc1cc(C)ccc1C
InChI KeyMTYQGRNWVIXPSL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • branched unsaturated hydrocarbons
  • cyclic olefins
  • unsaturated aliphatic hydrocarbons
  • p-xylenes
  • Substituents
  • cyclic olefin
  • olefin
  • hydrocarbon
  • unsaturated hydrocarbon
  • phenylpropane
  • aromatic homomonocyclic compound
  • xylene
  • p-xylene
  • branched unsaturated hydrocarbon
  • unsaturated aliphatic hydrocarbon