| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:51 UTC |
|---|
| Update Date | 2025-03-21 17:59:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00021693 |
|---|
| Frequency | 184.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H22O5 |
|---|
| Molecular Mass | 306.1467 |
|---|
| SMILES | CCCC(CCC(C)=O)COC(=O)c1ccccc1C(=O)O |
|---|
| InChI Key | IRWZQLZHTSVUAQ-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 | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | carbonyl groupcarboxylic acidbenzoylbenzoate estercarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
|---|
