| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:52 UTC |
|---|
| Update Date | 2025-03-25 00:54:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02205503 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H22N2O10 |
|---|
| Molecular Mass | 402.1274 |
|---|
| SMILES | NCc1[nH]cc(CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c1CCC(=O)O |
|---|
| InChI Key | ZXDFGBKBRMGDER-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 heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclepyrancarboxylic acid esterpyrrolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
|---|
