| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:30 UTC |
|---|
| Update Date | 2025-03-21 18:35:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00106684 |
|---|
| Frequency | 25.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13NO |
|---|
| Molecular Mass | 175.0997 |
|---|
| SMILES | CC(C)=CC(=O)c1ccccc1N |
|---|
| InChI Key | NMSKCEYKTRWQKS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoyl derivatives |
|---|
| Direct Parent | benzoyl derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha,beta-unsaturated ketonesaryl ketoneshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
|---|
| Substituents | vinylogous amidebenzoylalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
|---|
