| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:34 UTC |
|---|
| Update Date | 2025-03-25 00:50:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02182109 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H12ClNO2 |
|---|
| Molecular Mass | 273.0557 |
|---|
| SMILES | O=C(O)C1c2ccc(Cl)cc2CCc2cccnc21 |
|---|
| InChI Key | KAEIGHPKZGEIFC-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 compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
|---|
| Substituents | carbonyl groupcarboxylic acidpolyhalopyridineorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinearyl chlorideazacycleheteroaromatic compoundhydroxypyridinearyl halidemonocarboxylic acid or derivativespyridineorganic oxygen compoundbenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
