| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:49 UTC |
|---|
| Update Date | 2025-03-21 18:28:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00073706 |
|---|
| Frequency | 40.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H5NO2S |
|---|
| Molecular Mass | 179.0041 |
|---|
| SMILES | O=C(O)c1ccc(N=C=S)cc1 |
|---|
| InChI Key | RBEFRYQKJYMLCC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoyl derivativescarboxylic acidshydrocarbon derivativesisothiocyanatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | isothiocyanatecarboxylic acidbenzoylorganic 1,3-dipolar compoundorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidorganooxygen compound |
|---|
