| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:05 UTC |
|---|
| Update Date | 2025-03-25 00:50:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02181013 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H19N3O8 |
|---|
| Molecular Mass | 417.1172 |
|---|
| SMILES | O=C(O)CCC1=C(CC(=O)O)c2cc3[nH]c([nH]c1n2)c(CCC(=O)O)c3CC(=O)O |
|---|
| InChI Key | LQVMWFXXMLJQSU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tetracarboxylic acids and derivatives |
|---|
| Direct Parent | tetracarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundtetracarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
