| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:28:21 UTC |
|---|
| Update Date | 2025-03-21 18:40:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00130285 |
|---|
| Frequency | 19.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O4 |
|---|
| Molecular Mass | 224.1049 |
|---|
| SMILES | COCCc1ccc(OCCC(=O)O)cc1 |
|---|
| InChI Key | LQSJOZWGZREREU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | 3-phenoxypropionic acids |
|---|
| Direct Parent | 3-phenoxypropionic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundstyrosols and derivatives |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativedialkyl ether3-phenoxypropionic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativetyrosol derivativephenoxy compoundorganooxygen compound |
|---|
