Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:35 UTC
Update Date2025-03-25 00:49:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177595
Frequency0.5
Structure
Chemical FormulaC13H10O2
Molecular Mass198.0681
SMILESCc1cc2ccccc2cc1C(=O)C=O
InChI KeyZAGYPYKUFLBNFO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alpha ketoaldehydes
  • aryl ketones
  • hydrocarbon derivatives
  • organic oxides
  • phenylacetaldehydes
  • Substituents
  • carbonyl group
  • aldehyde
  • aromatic homopolycyclic compound
  • ketone
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • hydrocarbon derivative
  • alpha-ketoaldehyde
  • organooxygen compound
  • aryl ketone
  • phenylacetaldehyde