| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:05 UTC |
|---|
| Update Date | 2025-03-21 18:34:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00103215 |
|---|
| Frequency | 26.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15N2O7+ |
|---|
| Molecular Mass | 299.0874 |
|---|
| SMILES | NC(=O)c1ccc[n+](C2OC(C(=O)O)C(O)C(O)C2O)c1 |
|---|
| InChI Key | GOBHZBUFWCVBHO-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | n-glucuronides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary carboxylic acid amidespyran carboxylic acidspyridinecarboxylic acids and derivativessecondary alcoholsvinylogous amides |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundnicotinamidemonosaccharidecarboxylic acid derivativepyran carboxylic acidn-glucuronidebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationoxaneorganoheterocyclic compoundalcoholvinylogous amidepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidcarboxamide groupoxacyclemonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
|---|
