| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:55 UTC |
|---|
| Update Date | 2025-03-21 18:01:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031160 |
|---|
| Frequency | 118.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H15NO7 |
|---|
| Molecular Mass | 297.0849 |
|---|
| SMILES | O=C(O)CC(NC(Cc1ccc(O)cc1)C(=O)O)C(=O)O |
|---|
| InChI Key | FJDZQCRAIXEYHQ-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 | tyrosine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsamphetamines and derivativesaspartic acid and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidstricarboxylic acids and derivatives |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminetyrosine or derivativessecondary aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundaspartic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
