Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:56 UTC
Update Date2025-03-21 18:04:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00048005
Frequency69.2
Structure
Chemical FormulaC13H10O4
Molecular Mass230.0579
SMILESO=C(O)CC(=O)Oc1cccc2ccccc12
InChI KeyFEKYJNUQMSITLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic homopolycyclic compound
  • carboxylic acid derivative
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound