| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:53 UTC |
|---|
| Update Date | 2025-03-25 00:50:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178279 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H17NO8 |
|---|
| Molecular Mass | 351.0954 |
|---|
| SMILES | Cn1c(=O)ccc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c21 |
|---|
| InChI Key | MDTNGZRWQOGSKS-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 | 2-halopyridinesacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridineslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyran carboxylic acidspyridinonessecondary alcohols |
|---|
| Substituents | phenol ethercarbonyl grouplactamcarboxylic acidpolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinehydroxy acidoxacyclemonocarboxylic acid or derivativesdihydroquinolonepyridinepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinone |
|---|
