| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:08 UTC |
|---|
| Update Date | 2025-03-25 01:01:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02251986 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13NO2S2 |
|---|
| Molecular Mass | 255.0388 |
|---|
| SMILES | O=S(CCCN=C=S)Cc1ccc(O)cc1 |
|---|
| InChI Key | DLQCJBRYSJWSQF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzyl sulfoxides |
|---|
| Direct Parent | benzyl alkyl sulfoxides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidshydrocarbon derivativesisothiocyanatesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfinyl compoundssulfoxides |
|---|
| Substituents | isothiocyanate1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxideorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundbenzyl alkyl sulfoxideorganooxygen compound |
|---|
