| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:21 UTC |
|---|
| Update Date | 2025-03-25 00:48:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02165551 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H32N3O13+ |
|---|
| Molecular Mass | 546.193 |
|---|
| SMILES | CC(=O)NC1C(O)CC(OCC2OC([n+]3ccc(C(N)=O)cc3)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO |
|---|
| InChI Key | RGBGMHPHXVENCQ-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | c-glucuronides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesketalsmethylpyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsprimary carboxylic acid amidespyran carboxylic acidspyridinecarboxylic acids and derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic oxideacetalketalorganonitrogen compoundorganopnictogen compoundorganic cationoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativesazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
|---|
