| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:55 UTC |
|---|
| Update Date | 2025-03-25 00:48:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02166867 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H25NO3 |
|---|
| Molecular Mass | 303.1834 |
|---|
| SMILES | CC(C)(C(=O)O)c1ccc(C(=O)CCCN2CCCC2)cc1 |
|---|
| InChI Key | CEHUCYBWZOHEOA-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 | amino acidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-amino ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsphenylbutylaminesphenylpropanestrialkylamines |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativephenylpropaneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundgamma-aminoketoneazacyclen-alkylpyrrolidinetertiary aliphatic aminebutyrophenonemonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketone |
|---|
