| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:42:13 UTC |
|---|
| Update Date | 2025-03-21 17:59:20 UTC |
|---|
| HMDB ID | HMDB0125210 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00020272 |
|---|
| Name | 2-oxo-3-(3,4,5-trihydroxyphenyl)propanoic acid |
|---|
| Frequency | 200.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O6 |
|---|
| Molecular Mass | 212.0321 |
|---|
| SMILES | O=C(O)C(=O)Cc1cc(O)c(O)c(O)c1 |
|---|
| InChI Key | NDUHWAKMXZOUFX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpyruvic acid derivatives |
|---|
| Direct Parent | phenylpyruvic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanoic acidspyrogallols and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidpyrogallol derivativephenylpyruvate3-phenylpropanoic-acidbenzenetriol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidphenolhydrocarbon derivativeorganooxygen compound |
|---|
