| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:04 UTC |
|---|
| Update Date | 2025-03-25 00:47:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02160329 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12N2O6 |
|---|
| Molecular Mass | 268.0695 |
|---|
| SMILES | Nc1c(NC(CC(=O)O)C(=O)O)cccc1C(=O)O |
|---|
| InChI Key | RQHOLKUPQBRMIP-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 | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha amino acidsamino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary aminessecondary alkylarylaminestricarboxylic acids and derivativesvinylogous amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoyltricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amidebenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxygen compoundaspartic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
