Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:20 UTC
Update Date2025-03-25 01:00:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240868
Frequency0.5
Structure
Chemical FormulaC14H16O
Molecular Mass200.1201
SMILESCC(C)C1(C=O)CC=Cc2ccccc21
InChI KeyHQGSUCFCDSCVLO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenecarboxylic acids and derivatives
Direct Parent naphthalenecarboxylic acids
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • aldehyde
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • 1-naphthalenecarboxylic acid
  • organooxygen compound