| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:47 UTC |
|---|
| Update Date | 2025-03-25 00:54:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02205320 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11NO7 |
|---|
| Molecular Mass | 269.0536 |
|---|
| SMILES | NC(Cc1ccc(OC(=O)C(=O)O)c(O)c1)C(=O)O |
|---|
| InChI Key | DBGKOEFMKMZHRC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | phenylalanine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol estersphenoxy compoundsphenoxyacetic acid derivativesphenylpropanoic acidstricarboxylic acids and derivatives |
|---|
| Substituents | monocyclic benzene moietyphenoxyacetatecarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
