Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015889
PROPERTIES
| NPAID | NPA015889 |
|---|---|
| CLUSTER ID | 4642 |
| NODE ID | 3381 |
| NAME | Fumisoquin B |
| FORMULA | C13H16N2O8S |
| MOLECULAR WEIGHT (Da) | 360.3440 |
| ACCURATE MASS (Da) | 360.0627 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus |
| InChIKey | BGFQBPLLFWLCBB-ZOWUKKRWSA-N |
| InChI | InChI=1S/C13H16N2O8S/c14-7-3-8(16)10-12(18)5-1-2-9(23-24(20,21)22)11(17)6(5)4-15(10)13(7)19/h1-2,7-8,10,12,16-18H,3-4,14H2,(H,20,21,22)/t7-,8-,10+,12+/m0/s1 |
| SMILES | N[C@H]1C[C@H](O)[C@@H]2[C@H](O)C3=C(CN2C1=O)C(O)=C(OS(=O)(=O)O)C=C3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Baccile, Joshua A.; Spraker, Joseph E.; Le, Henry H.; Brandenburger, Eileen; Gomez, Christian; Bok, Jin Woo; MacHeleidt, Juliane; Brakhage, Axel A.; Hoffmeister, Dirk; Keller, Nancy P.; Schroeder, Frank C. Plant-like biosynthesis of isoquinoline alkaloids in Aspergillus fumigatus Nature Chemical Biology 2016 12 (6) 419-424. | ||
|---|---|---|---|
| DOI | 10.1038/nchembio.2061 | PMID | 27065235 |
