Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:09 UTC
Update Date2025-03-21 18:41:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00132184
Frequency19.1
Structure
Chemical FormulaC12H18
Molecular Mass162.1409
SMILESCc1cccc(C)c1CC(C)C
InChI KeySSHQJNCUQZQTBI-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
  • m-xylenes
  • Substituents
  • phenylpropane
  • aromatic homomonocyclic compound
  • xylene
  • saturated hydrocarbon
  • m-xylene
  • hydrocarbon