Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:01 UTC
Update Date2025-03-25 00:47:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162455
Frequency0.5
Structure
Chemical FormulaC17H12O4
Molecular Mass280.0736
SMILESO=C(O)CC(=O)Oc1ccc2ccc3ccccc3c2c1
InChI KeyWVWPJRIYJSUHTM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrenes and derivatives
Direct Parent phenanthrenes and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • naphthalenes
  • organic oxides
  • Substituents
  • phenanthrene
  • 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