| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 08:01:17 UTC |
|---|
| Update Date | 2025-03-24 22:27:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01205840 |
|---|
| Frequency | 1.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11NO |
|---|
| Molecular Mass | 137.0841 |
|---|
| SMILES | CC(=O)c1ccn(C)c1C |
|---|
| InChI Key | XROKFQCVNYXMBJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl alkyl ketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssubstituted pyrrolesvinylogous amides |
|---|
| Substituents | vinylogous amiden-methylpyrrolearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrroleorganic oxidepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
|---|
