Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:56 UTC
Update Date2025-03-21 18:05:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00054895
Frequency58.5
Structure
Chemical FormulaC11H16O
Molecular Mass164.1201
SMILESCc1ccccc1C(O)C(C)C
InChI KeyHNSKCRIMSDMNQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • hydrocarbon derivatives
  • secondary alcohols
  • toluenes
  • Substituents
  • aromatic alcohol
  • phenylpropane
  • alcohol
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • toluene
  • organooxygen compound