Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:48 UTC
Update Date2025-03-25 00:50:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178090
Frequency0.5
Structure
Chemical FormulaC10H10O5
Molecular Mass210.0528
SMILESCOC(=O)c1cccc(O)c1CC(=O)O
InChI KeyAOKQKTCXIGAPHR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetic acids
Direct Parent 2(hydroxyphenyl)acetic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • methyl esters
  • organic oxides
  • m-hydroxybenzoic acid esters
  • Substituents
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzoic acid or derivatives
  • benzoate ester
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • m-hydroxybenzoic acid ester
  • organooxygen compound
  • 2(hydroxyphenyl)acetic acid