| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:06 UTC |
|---|
| Update Date | 2025-03-25 00:50:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183269 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16N2O6 |
|---|
| Molecular Mass | 296.1008 |
|---|
| SMILES | O=C(O)c1nn(CC(O)C(O)C(O)CO)c2ccccc12 |
|---|
| InChI Key | SMEGIUWGOLSOTG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzopyrazoles |
|---|
| Subclass | indazoles |
|---|
| Direct Parent | indazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyrazolessecondary alcohols |
|---|
| Substituents | alcoholcarboxylic acidazacycleindazoleheteroaromatic compoundcarboxylic acid derivativepyrazoleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzopyrazoleprimary alcoholorganooxygen compoundazole |
|---|
