| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:07:37 UTC |
|---|
| Update Date | 2025-03-21 18:30:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00080529 |
|---|
| Frequency | 36.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15Cl2NO2 |
|---|
| Molecular Mass | 263.048 |
|---|
| SMILES | CN(C)CC(O)COc1ccc(Cl)cc1Cl |
|---|
| InChI Key | BXHCJTJPHDSQME-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | halobenzenes |
|---|
| Direct Parent | dichlorobenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcoholsalkyl aryl ethersaryl chlorideshydrocarbon derivativesorganochloridesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcoholstrialkylamines |
|---|
| Substituents | phenol etheretherorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chloridealcohol1,2-aminoalcoholtertiary aliphatic aminearyl halidearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
