| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:07 UTC |
|---|
| Update Date | 2025-03-21 18:04:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00053033 |
|---|
| Frequency | 61.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H17NO8 |
|---|
| Molecular Mass | 339.0954 |
|---|
| SMILES | O=C1Nc2ccccc2CC1OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | IJVJMKUHPVLKKQ-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 | acetalsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativeshydroquinolineshydroquinoloneslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanetetrahydroquinolineorganoheterocyclic compoundalcoholquinolonetetrahydroquinolonepyran carboxylic acid or derivativesazacyclehydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
|---|
