| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:32 UTC |
|---|
| Update Date | 2025-03-21 18:00:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00025556 |
|---|
| Frequency | 150.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O4 |
|---|
| Molecular Mass | 194.0579 |
|---|
| SMILES | O=C(O)CCC(=O)Oc1ccccc1 |
|---|
| InChI Key | XISIEQIDFFXZCP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol esters |
|---|
| Subclass | phenol esters |
|---|
| Direct Parent | phenol esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
