| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:47 UTC |
|---|
| Update Date | 2025-03-21 17:59:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00021542 |
|---|
| Frequency | 185.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10ClNO2 |
|---|
| Molecular Mass | 187.04 |
|---|
| SMILES | NCC(O)c1ccc(O)c(Cl)c1 |
|---|
| InChI Key | BLOGTXMZEHBMDJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | halophenols |
|---|
| Direct Parent | halophenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsaryl chlorideschlorobenzeneshydrocarbon derivativesmonoalkylamineso-chlorophenolsorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholaryl chloride2-chlorophenolchlorobenzenealcoholmonocyclic benzene moietyorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
