| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:03 UTC |
|---|
| Update Date | 2025-03-25 00:53:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201413 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO4 |
|---|
| Molecular Mass | 195.0532 |
|---|
| SMILES | COc1cc2c(cc1O)oc(=O)n2C |
|---|
| InChI Key | JGSPALICWDVJFK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzoxazoles |
|---|
| Subclass | benzoxazolones |
|---|
| Direct Parent | benzoxazolones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxazoles |
|---|
| Substituents | phenol etherethercarbonic acid derivativeazacycleheteroaromatic compoundoxazole1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherbenzoxazoloneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
|---|
