Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000579409 | Gold | 1 |
| CCMSLIB00005776056 | Gold | 3 |
| CCMSLIB00005775844 | Gold | 3 |
| CCMSLIB00005774952 | Gold | 3 |
| CCMSLIB00005772999 | Gold | 3 |
| CCMSLIB00005765018 | Gold | 3 |
| CCMSLIB00005760982 | Gold | 3 |
| CCMSLIB00005766009 | Gold | 3 |
| CCMSLIB00005761078 | Gold | 3 |
| CCMSLIB00005766343 | Gold | 3 |
| CCMSLIB00005761475 | Gold | 3 |
| CCMSLIB00005726237 | Gold | 3 |
| CCMSLIB00005726701 | Gold | 3 |
| CCMSLIB00005726554 | Gold | 3 |
| CCMSLIB00005726810 | Gold | 3 |
| CCMSLIB00000579064 | Gold | 3 |
| CCMSLIB00000841550 | Gold | 3 |
| CCMSLIB00000841949 | Gold | 3 |
| CCMSLIB00000565003 | Gold | 3 |
COMPOUND NPA030083
PROPERTIES
| NPAID | NPA030083 |
|---|---|
| CLUSTER ID | 8825 |
| NODE ID | 5956 |
| NAME | 2-benzyl-4-chlorophenol |
| FORMULA | C13H11ClO |
| MOLECULAR WEIGHT (Da) | 218.6830 |
| ACCURATE MASS (Da) | 218.0498 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Shewanella |
| ORIGIN SPECIES | halifaxensis IRL548 |
| InChIKey | NCKMMSIFQUPKCK-UHFFFAOYSA-N |
| InChI | InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2 |
| SMILES | OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Moore, Sarah L; Berthomier, Lucile; Braganza, Chriselle D; MacKichan, Joanna K; Ryan, Jason L; Visnovsky, Gabriel; Keyzers, Robert A Identification, library synthesis and anti-vibriosis activity of 2-benzyl-4-chlorophenol from cultures of the marine bacterium Shewanella halifaxensis. Bioorganic and Medicinal Chemistry Letters 2016 26 (13) 3086-3088. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2016.05.002 | PMID | 27185331 |
