| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:50 UTC |
|---|
| Update Date | 2025-03-21 18:06:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00064128 |
|---|
| Frequency | 48.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N2O4 |
|---|
| Molecular Mass | 250.0954 |
|---|
| SMILES | OCC1OC(c2nc3ccccc3[nH]2)C(O)C1O |
|---|
| InChI Key | FMPHEGJDUSHUMB-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 compoundsbenzenoidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholetherazacycletetrahydrofuranheteroaromatic compoundmonosaccharidedialkyl etheroxacyclesaccharideorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundprimary alcoholorganooxygen compoundazole |
|---|
