| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:40 UTC |
|---|
| Update Date | 2025-03-21 18:03:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00047358 |
|---|
| Frequency | 70.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O4 |
|---|
| Molecular Mass | 250.1205 |
|---|
| SMILES | CCCCCC(=O)COC(=O)c1ccccc1O |
|---|
| InChI Key | JRKOKRJAAGLFSA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | o-hydroxybenzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidessalicylic acid and derivativesvinylogous acids |
|---|
| Substituents | carbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeketonearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativeorganooxygen compound |
|---|
