Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:38 UTC
Update Date2025-03-25 00:53:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198096
Frequency0.5
Structure
Chemical FormulaC16H18O
Molecular Mass226.1358
SMILESCC(C)=CCC1=C(C)Cc2ccccc2C1=O
InChI KeyWPNIOOKTQOBJIT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aromatic monoterpenoids
  • aryl ketones
  • bicyclic monoterpenoids
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • Substituents
  • monoterpenoid
  • aromatic homopolycyclic compound
  • ketone
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • hydrocarbon derivative
  • bicyclic monoterpenoid
  • organooxygen compound
  • aromatic monoterpenoid
  • aryl ketone