Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:44 UTC
Update Date2025-03-21 18:03:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00045135
Frequency74.7
Structure
Chemical FormulaC13H12O3
Molecular Mass216.0786
SMILESCOc1ccc2cccc(CC(=O)O)c2c1
InChI KeyGJPYHKXILUFWKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organooxygen compound