| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:42 UTC |
|---|
| Update Date | 2025-03-25 00:59:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02234932 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H15Cl2N |
|---|
| Molecular Mass | 351.0582 |
|---|
| SMILES | Clc1cc2c(cc1Cl)C(=Cc1ccccc1)c1ncccc1CC2 |
|---|
| InChI Key | BOAAZYGZCZQYDO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzocycloheptapyridines |
|---|
| Subclass | benzocycloheptapyridines |
|---|
| Direct Parent | benzocycloheptapyridines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesaryl chloridesazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganochloridesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivatives |
|---|
| Substituents | aryl chloridemonocyclic benzene moietyazacyclepolyhalopyridineorganochlorideheteroaromatic compoundorganohalogen compoundaryl halidepyridinearomatic heteropolycyclic compoundbenzocycloheptapyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compound |
|---|
