| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:31 UTC |
|---|
| Update Date | 2025-03-25 00:47:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02159140 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H9NO4 |
|---|
| Molecular Mass | 243.0532 |
|---|
| SMILES | Oc1ccc(-c2nc3cccc(O)c3o2)cc1O |
|---|
| InChI Key | BSSRLUJXHWKUEM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzoxazoles |
|---|
| Subclass | benzoxazoles |
|---|
| Direct Parent | benzoxazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazoles |
|---|
| Substituents | monocyclic benzene moietyazacyclebenzoxazoleheteroaromatic compoundoxazole1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
|---|
