| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:21 UTC |
|---|
| Update Date | 2025-03-21 18:38:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00120819 |
|---|
| Frequency | 21.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H10O6 |
|---|
| Molecular Mass | 238.0477 |
|---|
| SMILES | O=C(O)CC(=O)CC(=O)Oc1ccc(O)cc1 |
|---|
| InChI Key | PQUBAUHEGBLPLA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol esters |
|---|
| Subclass | phenol esters |
|---|
| Direct Parent | phenol esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | fatty acylbeta-hydroxy ketonemonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidketonearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundketo acidcarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
