| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:47 UTC |
|---|
| Update Date | 2025-03-25 00:46:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02152967 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16N2O7 |
|---|
| Molecular Mass | 300.0958 |
|---|
| SMILES | NC(=O)c1ccc(OC2C(O)OC(CO)C(O)C2O)cn1 |
|---|
| InChI Key | BJSVNPKTCWBCNH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridinecarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridines2-heteroaryl carboxamidesalkyl aryl ethersazacyclic compoundscarboxylic acids and derivativeshemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary alcoholsprimary carboxylic acid amidessecondary alcohols |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesetheraromatic heteromonocyclic compoundpolyhalopyridinemonosaccharidealkyl aryl ethercarboxylic acid derivative2-heteroaryl carboxamidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetal2-halopyridineoxaneprimary alcoholalcoholazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
