| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:37 UTC |
|---|
| Update Date | 2025-03-21 18:30:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00082846 |
|---|
| Frequency | 34.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H6ClNO3 |
|---|
| Molecular Mass | 199.0036 |
|---|
| SMILES | O=C1Nc2cc(Cl)ccc2OC1O |
|---|
| InChI Key | GFRMTCSRFYIYHU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzoxazines |
|---|
| Subclass | benzoxazinones |
|---|
| Direct Parent | benzoxazinones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativeslactamsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl grouplactamorganochloridecarboxylic acid derivativeorganohalogen compoundbenzomorpholineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalaryl chlorideazacyclecarboxamide groupoxazinanearyl halideoxacyclesecondary carboxylic acid amidemorpholinebenzoxazinoneorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
