Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:58 UTC
Update Date2025-03-21 18:39:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124574
Frequency20.6
Structure
Chemical FormulaC12H18O2
Molecular Mass194.1307
SMILESCC(C)(C)c1ccc(C(O)CO)cc1
InChI KeyNNPXCFIPWDBGNX-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
  • aromatic alcohols
  • hydrocarbon derivatives
  • primary alcohols
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound
  • 1,2-diol