Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:48:20 UTC
Update Date2025-03-21 18:01:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00034525
Frequency104.1
Structure
Chemical FormulaC11H12O2
Molecular Mass176.0837
SMILESO=C(O)C1CCCc2ccccc21
InChI KeyVDLWTJCSPSUGOA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenecarboxylic acids and derivatives
Direct Parent naphthalenecarboxylic acids
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • tetralins
  • Substituents
  • tetralin
  • carbonyl group
  • carboxylic acid
  • aromatic homopolycyclic compound
  • 1-naphthalenecarboxylic acid
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound