| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:12 UTC |
|---|
| Update Date | 2025-03-25 00:46:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02158425 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8ClIO3 |
|---|
| Molecular Mass | 313.9207 |
|---|
| SMILES | OCC(O)c1cc(Cl)c(O)c(I)c1 |
|---|
| InChI Key | NBDSXZCQFPYCIT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | halophenols |
|---|
| Direct Parent | halophenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsaromatic alcoholsaryl chloridesaryl iodideschlorobenzeneshydrocarbon derivativesiodobenzeneso-chlorophenolso-iodophenolsorganochloridesorganoiodidesprimary alcoholssecondary alcohols |
|---|
| Substituents | aromatic alcoholmonocyclic benzene moietyorganochlorideorganohalogen compoundiodobenzeneorganoiodideprimary alcohol1,2-diolaryl chloride2-chlorophenolchlorobenzenealcohol2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundsecondary alcoholhydrocarbon derivativearyl iodidehalobenzeneorganooxygen compound |
|---|
