Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:26 UTC
Update Date2025-03-25 00:56:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220880
Frequency0.5
Structure
Chemical FormulaC14H6O3
Molecular Mass222.0317
SMILESO=C1C=Cc2ccc3c4c(ccc1c24)C(=O)O3
InChI KeyCDFRAIKINCMRSU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenalenes
Subclass phenalenones
Direct Parent phenalenones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl ketones
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • naphthalenes
  • naphthofurans
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • naphthofuran
  • carboxylic acid derivative
  • ketone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • phenalen-1-one
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • aryl ketone