| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:42 UTC |
|---|
| Update Date | 2025-03-21 18:33:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00094869 |
|---|
| Frequency | 29.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O6 |
|---|
| Molecular Mass | 252.0634 |
|---|
| SMILES | O=C(O)CCc1cccc(OC(=O)CC(=O)O)c1 |
|---|
| InChI Key | DWPJXRJCWTYLGT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidesphenol estersphenoxy compoundstricarboxylic acids and derivatives |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidtricarboxylic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
