| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:13 UTC |
|---|
| Update Date | 2025-03-25 00:54:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02204030 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H17Cl2NO3 |
|---|
| Molecular Mass | 305.0585 |
|---|
| SMILES | OC(COc1ccc(Cl)cc1Cl)CN1CCOCC1 |
|---|
| InChI Key | JVFKQRBGWLOUTP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | halobenzenes |
|---|
| Direct Parent | dichlorobenzenes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcoholsalkyl aryl ethersaryl chloridesazacyclic compoundsdialkyl ethershydrocarbon derivativesmorpholinesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundssecondary alcoholstrialkylamines |
|---|
| Substituents | phenol etheretheraromatic heteromonocyclic compoundorganochloridealkyl aryl etherorganohalogen compounddialkyl ether1,3-dichlorobenzeneorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundaryl chloridealcoholazacycle1,2-aminoalcoholtertiary aliphatic amineoxazinanearyl halideoxacyclemorpholineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
