| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:31 UTC |
|---|
| Update Date | 2025-03-21 18:38:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00118895 |
|---|
| Frequency | 22.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H23ClN2O3 |
|---|
| Molecular Mass | 374.1397 |
|---|
| SMILES | NC(CCN1CCC(O)(c2ccc(Cl)cc2)C1)(C(=O)O)c1ccccc1 |
|---|
| InChI Key | XZHYSLGHOBGNLO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrrolidines |
|---|
| Subclass | phenylpyrrolidines |
|---|
| Direct Parent | phenylpyrrolidines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcoholsalpha amino acidsamino acidsamino fatty acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzenesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganochloridesorganopnictogen compoundspyrrolestertiary alcoholstrialkylamines |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidtertiary aminearyl chloridechlorobenzenealcoholazacyclen-alkylpyrrolidine1,2-aminoalcoholtertiary aliphatic amineamino fatty acidaryl halide3-phenylpyrrolidinetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
|---|
