Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003549
PROPERTIES
| NPAID | NPA003549 |
|---|---|
| CLUSTER ID | 1957 |
| NODE ID | 1575 |
| NAME | 4,6,2’,4’,6’-Pentabromo-3,3’-dihydroxy-5,5’-dimethyldiphenyl Ether |
| FORMULA | C14H9Br5O3 |
| MOLECULAR WEIGHT (Da) | 624.7430 |
| ACCURATE MASS (Da) | 619.6469 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | chrysogenum |
| InChIKey | YXUBHCXJJUTWOH-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H9Br5O3/c1-4-8(15)6(20)3-7(9(4)16)22-14-11(18)5(2)10(17)13(21)12(14)19/h3,20-21H,1-2H3 |
| SMILES | CC1=C(C(=CC(=C1Br)OC2=C(C(=C(C(=C2Br)O)Br)C)Br)O)Br |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yang, Guohua; Yun, Keumja; Nenkep, Viviane N.; Choi, Hong Dae; Kang, Jung Sook; Son, Byeng Wha Induced Production of Halogenated Diphenyl Ethers from the Marine-Derived Fungus Penicillium chrysogenum Chemistry and Biodiversity 2010 7 (11) 2766-2770. | ||
|---|---|---|---|
| DOI | 10.1002/cbdv.201000067 | PMID | 21072776 |
