| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:10 UTC |
|---|
| Update Date | 2025-03-21 18:03:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00043764 |
|---|
| Frequency | 77.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO |
|---|
| Molecular Mass | 189.1154 |
|---|
| SMILES | CN1CCCC1C(=O)c1ccccc1 |
|---|
| InChI Key | LNPAWKHJKMNJQD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha-amino ketonesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativeshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylorganic oxidealpha-aminoketoneorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic aminehydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketone |
|---|
