Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009781
PROPERTIES
| NPAID | NPA009781 |
|---|---|
| CLUSTER ID | 594 |
| NODE ID | 530 |
| NAME | 2-bromorugulovasine B |
| FORMULA | C16H15BrN2O2 |
| MOLECULAR WEIGHT (Da) | 347.2120 |
| ACCURATE MASS (Da) | 346.0317 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Talaromyces |
| ORIGIN SPECIES | wortmannii |
| InChIKey | SIFHQNIMYRHRLF-LRDDRELGSA-N |
| InChI | InChI=1S/C16H15BrN2O2/c1-8-7-16(21-15(8)20)10-4-3-5-11-13(10)9(14(17)19-11)6-12(16)18-2/h3-5,7,12,18-19H,6H2,1-2H3/t12-,16-/m0/s1 |
| SMILES | CC1=C[C@]2([C@H](CC3=C(NC4=CC=CC2=C34)Br)NC)OC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | De Medeiros, Lívia Soman; Da Silva, José Vinícius; Abreu, Lucas Magalhães; Pfenning, Ludwig Heinrich; Silva, Carolina Lúcia; Thomasi, Sérgio Secherrer; Venâncio, Tiago; Van Pée, Karl-Heinz; Nielsen, Kristian Fog; Rodrigues-Filho, Edson Dichlorinated and brominated rugulovasines, ergot alkaloids produced by Talaromyces wortmannii Molecules 2015 20 (9) 17627-17644. | ||
|---|---|---|---|
| DOI | 10.3390/molecules200917627 | PMID | 26404231 |
