| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:28 UTC |
|---|
| Update Date | 2025-03-21 18:03:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042039 |
|---|
| Frequency | 81.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O5 |
|---|
| Molecular Mass | 210.0528 |
|---|
| SMILES | COc1ccc(O)c(CC(=O)C(=O)O)c1 |
|---|
| InChI Key | JPJNVXMKHHCDDF-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 benzenoids4-alkoxyphenolsalkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolescarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanoic acids |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acid4-alkoxyphenolphenylpyruvatemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
