| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:25 UTC |
|---|
| Update Date | 2025-03-25 00:54:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02206750 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8N2O2S |
|---|
| Molecular Mass | 208.0306 |
|---|
| SMILES | O=C(CN=C=S)Nc1ccccc1O |
|---|
| InChI Key | QJTVSEJHWQARTJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acid amides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesisothiocyanatesn-arylamidesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
|---|
| Substituents | isothiocyanatemonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidn-arylamideorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amideorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
