| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:18 UTC |
|---|
| Update Date | 2025-03-21 18:00:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00027344 |
|---|
| Frequency | 138.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H16O6 |
|---|
| Molecular Mass | 280.0947 |
|---|
| SMILES | COC(=O)c1ccccc1C(=O)OCC(C)(C)C(=O)O |
|---|
| InChI Key | ABPILSILNLJHCF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl estersorganic oxidestricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
