Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008342
PROPERTIES
| NPAID | NPA008342 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | 11-bromo-17-hydroxyroquefortine C |
| FORMULA | C22H22BrN5O3 |
| MOLECULAR WEIGHT (Da) | 484.3540 |
| ACCURATE MASS (Da) | 483.0906 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | chrysogenum |
| InChIKey | UMCGQJQCISUBIM-IWLGAPBKSA-N |
| InChI | InChI=1S/C22H22BrN5O3/c1-4-21(2,3)22-8-15-18(30)27-16(17(29)14-9-24-10-25-14)19(31)28(15)20(22)26-13-6-5-11(23)7-12(13)22/h4-7,9-10,15,20,26,29H,1,8H2,2-3H3,(H,24,25)(H,27,30)/b17-16-/t15-,20?,22+/m0/s1 |
| SMILES | CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C(/C4=CN=CN4)\O)/C(=O)N3C1NC5=C2C=C(C=C5)Br |
ORIGINAL ISOLATION REFERENCE
| CITATION | Da Silva, Jos Vinicius; Fill, Taicia Pacheco; Lotufo, Letcia Veras; Pessoa, Cludia Do .; Rodrigues-Filho, Edson Biosynthesis of bromoroquefortines in a high saline medium by penicillium chrysogenum, a terrestrial endophyte collected from coffea arabica Helvetica Chimica Acta 2014 97 (10) 1345-1353. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.201300447 | PMID | - |
