| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:01 UTC |
|---|
| Update Date | 2025-03-21 18:05:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00059853 |
|---|
| Frequency | 52.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H22O4 |
|---|
| Molecular Mass | 278.1518 |
|---|
| SMILES | CCOC(=O)c1ccccc1C(=O)OCC(CC)CC |
|---|
| InChI Key | MYEJSGPXTRGEJW-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 derivativesorganic oxidesorganooxygen compounds |
|---|
| Substituents | benzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
