| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:16 UTC |
|---|
| Update Date | 2025-03-25 01:01:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02252290 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H20N2O6 |
|---|
| Molecular Mass | 288.1321 |
|---|
| SMILES | NCc1ccc(CNC2C(O)OC(CO)C(O)C2O)o1 |
|---|
| InChI Key | BSPCNIXNVITECH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | monosaccharides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | dialkylaminesfuranshemiacetalsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholfuransecondary aliphatic aminearomatic heteromonocyclic compoundheteroaromatic compoundmonosaccharidesecondary amineoxacycleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhemiacetalhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundoxaneprimary alcoholorganoheterocyclic compoundamine |
|---|
