| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:14 UTC |
|---|
| Update Date | 2025-03-25 00:54:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02208676 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O6 |
|---|
| Molecular Mass | 252.0634 |
|---|
| SMILES | CC(=O)Oc1ccccc1OC(=O)CCC(=O)O |
|---|
| InChI Key | HOCAAWWMRWWWAU-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 | carbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidesphenoxy compoundstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidtricarboxylic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
