| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:07:33 UTC |
|---|
| Update Date | 2025-03-21 18:29:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00080342 |
|---|
| Frequency | 36.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H15NO9 |
|---|
| Molecular Mass | 353.0747 |
|---|
| SMILES | O=C1Nc2ccccc2C(=O)C1OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | QLASTYGPGIBKNB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | o-glucuronides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundsacetalsaryl alkyl ketonesazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativeshydroquinolineshydroquinoloneslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidaryl alkyl ketoneo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanetetrahydroquinolineorganoheterocyclic compoundalcoholvinylogous amidequinolonetetrahydroquinolonepyran carboxylic acid or derivativesazacyclehydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundaryl ketone |
|---|
