| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:55 UTC |
|---|
| Update Date | 2025-03-25 00:46:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153295 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H8Cl3NO2 |
|---|
| Molecular Mass | 290.9621 |
|---|
| SMILES | COc1ccc2[nH]cc(C(=O)C(Cl)(Cl)Cl)c2c1 |
|---|
| InChI Key | JDKZEBBNLRANEH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indoles |
|---|
| Direct Parent | indoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalkyl chloridesalpha-chloroketonesanisolesaryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
|---|
| Substituents | phenol etheretheraryl alkyl ketoneindolealkyl chlorideorganochloridealkyl aryl etherorganohalogen compoundketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalpha-haloketonealkyl halidevinylogous amideazacycleheteroaromatic compoundalpha-chloroketoneorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
|---|
