| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:22 UTC |
|---|
| Update Date | 2025-03-21 18:03:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00046655 |
|---|
| Frequency | 71.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H19NO3S |
|---|
| Molecular Mass | 305.1086 |
|---|
| SMILES | COc1c(C)cnc(CS(=O)(=O)c2ccc(C)cc2)c1C |
|---|
| InChI Key | BXTPTBMBCCJLTM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | toluenes |
|---|
| Direct Parent | tosyl compounds |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfones |
|---|
| Substituents | etheraromatic heteromonocyclic compoundtosyl compoundpolyhalopyridinealkyl aryl etherorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundbenzenesulfonyl groupazacycleheteroaromatic compoundmethylpyridinesulfonylpyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
|---|
