Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:08 UTC
Update Date2025-03-25 00:53:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201572
Frequency0.5
Structure
Chemical FormulaC13H16O2
Molecular Mass204.115
SMILESCc1cc(C)c2c(c1)CC(C(=O)O)CC2
InChI KeyXXUFSGCAXBFWCQ-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
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • 2-naphthalenecarboxylic acid
  • organooxygen compound