Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:17 UTC
Update Date2025-03-21 18:39:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127716
Frequency20.0
Structure
Chemical FormulaC11H10O5
Molecular Mass222.0528
SMILESO=C(O)C(=O)CC(C(=O)O)c1ccccc1
InChI KeyTYVHZZUJEGAMFZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass gamma-keto acids and derivatives
Direct Parent gamma-keto acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • benzene and substituted derivatives
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • gamma-keto acid
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • alpha-keto acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound