Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:16 UTC
Update Date2025-03-25 00:51:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188258
Frequency0.5
Structure
Chemical FormulaC14H22O2
Molecular Mass222.162
SMILESCC(O)(CO)Cc1ccc(C(C)(C)C)cc1
InChI KeyLWFPKSDYVOPSGY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • hydrocarbon derivatives
  • tertiary alcohols
  • Substituents
  • phenylpropane
  • alcohol
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol