Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727261 | Gold | 3 |
| CCMSLIB00005727414 | Gold | 3 |
| CCMSLIB00005727432 | Gold | 3 |
| CCMSLIB00005727589 | Gold | 3 |
| CCMSLIB00005727059 | Gold | 3 |
COMPOUND NPA017298
PROPERTIES
| NPAID | NPA017298 |
|---|---|
| CLUSTER ID | 3783 |
| NODE ID | 2839 |
| NAME | Roquefortine A |
| FORMULA | C18H22N2O2 |
| MOLECULAR WEIGHT (Da) | 298.3860 |
| ACCURATE MASS (Da) | 298.1681 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | GJSSYQDXZLZOLR-QMHBMSAFSA-N |
| InChI | InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15+,17+,18+/m0/s1 |
| SMILES | C[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2[C@@H]1OC(=O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Polonsky, J; Merrien, M A; Scott, P M Roquefortine and isofumigaclavine A, alkaloids from Penicillium roqueforti Annales de la Nutrition et de l'Alimentation 1977 31 (4-6) 963-968. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541338 | PMID | 613945 |
