| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:36 UTC |
|---|
| Update Date | 2025-03-25 00:54:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02204907 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H4ClNO2 |
|---|
| Molecular Mass | 168.9931 |
|---|
| SMILES | O=c1[nH]c2cccc(Cl)c2o1 |
|---|
| InChI Key | PKVSEKISDMDLAQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzoxazoles |
|---|
| Subclass | benzoxazolones |
|---|
| Direct Parent | benzoxazolones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazoles |
|---|
| Substituents | aryl chloridecarbonic acid derivativeazacycleorganochlorideheteroaromatic compoundoxazoleorganohalogen compoundbenzoxazolonearyl halideoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
|---|
