| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:19:12 UTC |
|---|
| Update Date | 2025-03-25 01:00:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02245261 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12N2O5S |
|---|
| Molecular Mass | 272.0467 |
|---|
| SMILES | CN1C(=O)C(OS(=O)(=O)O)CNc2ccccc21 |
|---|
| InChI Key | OWADRJDFHJXXJG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzodiazepines |
|---|
| Subclass | benzodiazepines |
|---|
| Direct Parent | benzodiazepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,4-diazepinesalkyl sulfatesazacyclic compoundsbenzenoidsbeta amino acids and derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundssecondary alkylarylaminessulfuric acid monoesterstertiary carboxylic acid amides |
|---|
| Substituents | sulfuric acid monoestercarbonyl grouplactamamino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundalkyl sulfatetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundorganic sulfuric acid or derivativesazacyclebenzodiazepinesecondary aminecarboxamide groupbeta amino acid or derivativessecondary aliphatic/aromatic aminepara-diazepineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
|---|
