Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000565242 | Bronze | MoNA:2249196&2,4-Dichlorobenzoate |
| CCMSLIB00000565304 | Bronze | MoNA:2258379&2,4-Dichlorobenzoate |
| CCMSLIB00000565442 | Bronze | MoNA:2258372&2,4-Dichlorobenzoate |
| CCMSLIB00000565512 | Bronze | MoNA:2265190&2,4-Dichlorobenzoate |
| CCMSLIB00000565764 | Bronze | MoNA:2258669&2,4-Dichlorobenzoate |
| CCMSLIB00005729413 | Gold | 3 |
| CCMSLIB00005728491 | Gold | 3 |
| CCMSLIB00005729157 | Gold | 3 |
| CCMSLIB00005729927 | Gold | 3 |
| CCMSLIB00005729181 | Gold | 3 |
COMPOUND NPA001349
PROPERTIES
| NPAID | NPA001349 |
|---|---|
| CLUSTER ID | 890 |
| NODE ID | 771 |
| NAME | 2,4-dichlorobenzoic acid |
| FORMULA | C7H4Cl2O2 |
| MOLECULAR WEIGHT (Da) | 191.0130 |
| ACCURATE MASS (Da) | 189.9588 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Fischerella |
| ORIGIN SPECIES | ambigua |
| InChIKey | ATCRIUVQKHMXSH-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11) |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wright, Anthony D.; Papendorf, Olaf; Koenig, Gabriele M. Ambigol C and 2,4-dichlorobenzoic acid, natural products produced by the terrestrial cyanobacterium Fischerella ambigua Journal of Natural Products 2005 68 (3) 459-461. | ||
|---|---|---|---|
| DOI | 10.1021/np049640w | PMID | 15787461 |
