| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:19:20 UTC |
|---|
| Update Date | 2025-03-25 01:00:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02245561 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H21Cl2NO2 |
|---|
| Molecular Mass | 401.0949 |
|---|
| SMILES | CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Cl)ccc32)C1 |
|---|
| InChI Key | TVMWMIBZAZZUTQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | dibenzocycloheptenes |
|---|
| Subclass | dibenzocycloheptenes |
|---|
| Direct Parent | dibenzocycloheptenes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aryl chloridesazacyclic compoundscarbamate esterscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspyrrolidine carboxylic acids |
|---|
| Substituents | aryl chloridecarbonyl groupcarbonic acid derivativeazacycleorganochloridecarbamic acid esterorganohalogen compounddibenzocycloheptenearyl halideorganic oxidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrrolidine carboxylic acidorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineorganoheterocyclic compoundorganooxygen compound |
|---|
