Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:21 UTC
Update Date2025-03-25 00:51:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188423
Frequency0.5
Structure
Chemical FormulaC12H18O2
Molecular Mass194.1307
SMILESCC(O)C(C)(C)Cc1ccc(O)cc1
InChI KeyFTSPTUCEBWYYCO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • hydrocarbon derivatives
  • secondary alcohols
  • Substituents
  • phenylpropane
  • alcohol
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • 1-hydroxy-2-unsubstituted benzenoid
  • phenol
  • hydrocarbon derivative
  • organooxygen compound