Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:12 UTC
Update Date2025-03-21 18:36:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113262
Frequency23.4
Structure
Chemical FormulaC13H20O
Molecular Mass192.1514
SMILESCc1cc(C(C)(C)C)c(O)c(C)c1C
InChI KeyIBFSAMQOXINELW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • meta cresols
  • organooxygen compounds
  • ortho cresols
  • para cresols
  • phenols
  • Substituents
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • m-cresol
  • p-cresol
  • o-cresol
  • phenol
  • hydrocarbon derivative
  • organooxygen compound