| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:04 UTC |
|---|
| Update Date | 2025-03-25 00:54:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02203699 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13NO8 |
|---|
| Molecular Mass | 299.0641 |
|---|
| SMILES | O=C(O)CCC(NOC(=O)c1ccc(O)c(O)c1)C(=O)O |
|---|
| InChI Key | PYCILBZLEXVEQS-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 | glutamic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsbenzoic acids and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acid saltscarboxylic acidshydrocarbon derivativesorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundstricarboxylic acids and derivatives |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic saltbenzoic acid or derivativesglutamic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundcarboxylic acid saltorganooxygen compound |
|---|
