| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:01 UTC |
|---|
| Update Date | 2025-03-25 00:58:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02231035 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17NOS |
|---|
| Molecular Mass | 223.1031 |
|---|
| SMILES | CCN(CC)C(=O)CSc1ccccc1 |
|---|
| InChI Key | IUKLUPXCEUXOIW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | thiophenols |
|---|
| Subclass | thiophenols |
|---|
| Direct Parent | thiophenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkylarylthioethersbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstertiary carboxylic acid amidesthiophenol ethers |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupsulfenyl compoundalkylarylthioetherorganosulfur compoundcarboxamide groupcarboxylic acid derivativearyl thioetheraromatic homomonocyclic compoundorganic oxidethiophenolorganic oxygen compoundthioetherthiophenol ethertertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
