Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:36 UTC
Update Date2025-03-21 18:38:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00121410
Frequency21.3
Structure
Chemical FormulaC11H16O
Molecular Mass164.1201
SMILESCc1cccc(CC(C)(C)O)c1
InChI KeyGIZZSQMBNNDMAF-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
  • tertiary alcohols
  • toluenes
  • Substituents
  • phenylpropane
  • alcohol
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • toluene
  • organooxygen compound