| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:31 UTC |
|---|
| Update Date | 2025-03-21 18:01:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00034951 |
|---|
| Frequency | 102.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H18O5 |
|---|
| Molecular Mass | 278.1154 |
|---|
| SMILES | CC(=O)COC(=O)c1ccccc1C(=O)OCC(C)C |
|---|
| InChI Key | NDDUGMFCFNVFCB-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 oxides |
|---|
| Substituents | carbonyl groupbenzoylbenzoate estercarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
