| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:16 UTC |
|---|
| Update Date | 2025-03-25 00:45:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02151745 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H15NO4 |
|---|
| Molecular Mass | 249.1001 |
|---|
| SMILES | NC(CCC(=O)O)C(=O)C=Cc1ccc(O)cc1 |
|---|
| InChI Key | MVNXXURPJTUFCU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | hydroxycinnamic acids and derivatives |
|---|
| Direct Parent | hydroxycinnamic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsamino fatty acidsbenzene and substituted derivativescarbocyclic fatty acidscarboxylic acidsenonesfatty acylsgamma amino acids and derivativeshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidgamma amino acid or derivatives1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketonecarboxylic acid derivativemedium-chain hydroxy acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidenoneamino fatty acidhydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
