| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:39:21 UTC |
|---|
| Update Date | 2025-03-21 17:58:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00013957 |
|---|
| Frequency | 317.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO6S |
|---|
| Molecular Mass | 259.0151 |
|---|
| SMILES | CN1C(=O)C(OS(=O)(=O)O)Oc2ccccc21 |
|---|
| InChI Key | YVPZGPNCJXIWHQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzoxazines |
|---|
| Subclass | benzoxazinones |
|---|
| Direct Parent | benzoxazinones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl sulfatesazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfuric acid monoesterstertiary carboxylic acid amides |
|---|
| Substituents | sulfuric acid monoestercarbonyl grouplactamcarboxylic acid derivativebenzomorpholineorganic oxidearomatic heteropolycyclic compoundalkyl sulfatetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundorganic sulfuric acid or derivativesazacyclecarboxamide groupoxazinaneoxacyclemorpholinebenzoxazinoneorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
