| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:23 UTC |
|---|
| Update Date | 2025-03-25 00:47:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163314 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O4 |
|---|
| Molecular Mass | 224.1049 |
|---|
| SMILES | O=C(O)C(CCCO)Cc1ccc(O)cc1 |
|---|
| InChI Key | VNOTYYODYJJBEZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalcohols and polyolsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfatty alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundfatty alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
