Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:47 UTC
Update Date2025-03-25 00:49:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175682
Frequency0.5
Structure
Chemical FormulaC13H20O2
Molecular Mass208.1463
SMILESCC(C)CC(c1ccc(O)cc1)C(C)O
InChI KeyWNCMHGSGSXSLDF-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