| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:16 UTC |
|---|
| Update Date | 2025-03-25 00:48:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02169921 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H20O6 |
|---|
| Molecular Mass | 308.126 |
|---|
| SMILES | CCOC(=O)c1ccccc1C(=O)OCC(=O)CCC(C)O |
|---|
| InChI Key | JUPCQHAFNKZYDN-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 derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupbenzoylbenzoate estercarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
