| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:39 UTC |
|---|
| Update Date | 2025-03-25 01:01:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02250879 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10ClN2O3+ |
|---|
| Molecular Mass | 229.0374 |
|---|
| SMILES | O=C(O)CC[N+](=O)Nc1ccc(Cl)cc1 |
|---|
| InChI Key | SOEVYFZHSHWQMU-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylhydrazines |
|---|
| Direct Parent | phenylhydrazines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aryl chloridechlorobenzenecarbonyl groupcarboxylic acidorganochloridecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic oxoazaniumhalobenzenephenylhydrazineorganooxygen compound |
|---|
