| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:04:21 UTC |
|---|
| Update Date | 2025-03-25 00:55:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02211376 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10N2O |
|---|
| Molecular Mass | 174.0793 |
|---|
| SMILES | CC(=O)Nc1cc(C#N)ccc1C |
|---|
| InChI Key | TWARPZCNCWESBS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | anilides |
|---|
| Direct Parent | acetanilides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesbenzonitrilescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesnitrilesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestoluenes |
|---|
| Substituents | carbonyl groupnitrilen-acetylarylamineacetaniliden-arylamidecarboxamide groupcarboxylic acid derivativebenzonitrilearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtoluenecarbonitrileacetamideorganooxygen compound |
|---|
