| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:13 UTC |
|---|
| Update Date | 2025-03-21 18:03:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00046278 |
|---|
| Frequency | 72.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O4 |
|---|
| Molecular Mass | 236.1049 |
|---|
| SMILES | CC(=O)Oc1ccccc1C(=O)OCC(C)C |
|---|
| InChI Key | SJDBWYGIHAKIFU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | acylsalicylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol estersphenoxy compounds |
|---|
| Substituents | carbonyl groupbenzoylbenzoate esteracylsalicylic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
