| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:37 UTC |
|---|
| Update Date | 2025-03-25 00:49:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177657 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H15N3O4 |
|---|
| Molecular Mass | 277.1063 |
|---|
| SMILES | N#Cc1ccc2c(c1)ncn2CC(O)C(O)C(O)CO |
|---|
| InChI Key | SXIWLZWRTMVEBO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzimidazoles |
|---|
| Subclass | benzimidazoles |
|---|
| Direct Parent | benzimidazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesnitrilesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholnitrileazacycleheteroaromatic compoundorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundprimary alcoholcarbonitrileorganooxygen compoundazolen-substituted imidazole |
|---|
