Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:22 UTC
Update Date2025-03-25 01:00:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240943
Frequency0.5
Structure
Chemical FormulaC15H20O
Molecular Mass216.1514
SMILESCC(C)(O)C#Cc1ccc(C(C)(C)C)cc1
InChI KeyZYDQXMOJXQRCNM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • tertiary alcohols
  • ynones
  • Substituents
  • phenylpropane
  • alcohol
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • ynone
  • organooxygen compound