Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003229
PROPERTIES
| NPAID | NPA003229 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Bromoroquefortine C |
| FORMULA | C22H22BrN5O2 |
| MOLECULAR WEIGHT (Da) | 468.3550 |
| ACCURATE MASS (Da) | 467.0957 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | chrysogenum |
| InChIKey | LPLFVWKHFVLGEC-DTRKPXCKSA-N |
| InChI | InChI=1S/C22H22BrN5O2/c1-4-21(2,3)22-9-17-18(29)26-16(8-13-10-24-11-25-13)19(30)28(17)20(22)27-15-6-5-12(23)7-14(15)22/h4-8,10-11,17,20,27H,1,9H2,2-3H3,(H,24,25)(H,26,29)/b16-8+/t17-,20?,22+/m0/s1 |
| SMILES | CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C/C4=CN=CN4)/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 | - |
