| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:38 UTC |
|---|
| Update Date | 2025-03-25 00:53:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02202697 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17NOS |
|---|
| Molecular Mass | 223.1031 |
|---|
| SMILES | C=C(C)NCCSCc1ccccc1O |
|---|
| InChI Key | PXRLFRRATZBFDS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesdialkylaminesdialkylthioethershydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundssulfenyl compounds |
|---|
| Substituents | secondary aliphatic aminemonocyclic benzene moietysulfenyl compounddialkylthioether1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary amineorganosulfur compoundaromatic homomonocyclic compoundorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
