Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000852758 | Gold | 1 |
| CCMSLIB00012135903 | Gold | 4 |
| CCMSLIB00012135904 | Gold | 4 |
| CCMSLIB00012135905 | Gold | 4 |
| CCMSLIB00009975700 | Gold | 4 |
| CCMSLIB00009975701 | Gold | 4 |
| CCMSLIB00009975702 | Gold | 4 |
COMPOUND NPA016249
PROPERTIES
| NPAID | NPA016249 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Fellutanine B |
| FORMULA | C27H28N4O2 |
| MOLECULAR WEIGHT (Da) | 440.5470 |
| ACCURATE MASS (Da) | 440.2212 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | fellutanum |
| InChIKey | PFYKDKMYQRWRGF-PKTZIBPZSA-N |
| InChI | InChI=1S/C27H28N4O2/c1-4-27(2,3)24-19(18-10-6-8-12-21(18)29-24)14-23-26(33)30-22(25(32)31-23)13-16-15-28-20-11-7-5-9-17(16)20/h4-12,15,22-23,28-29H,1,13-14H2,2-3H3,(H,30,33)(H,31,32)/t22-,23+/m1/s1 |
| SMILES | CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C[C@H]3C(=O)N[C@@H](C(=O)N3)CC4=CNC5=CC=CC=C54 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kozlovsky, Anatoly G.; Vinokurova, Nataliya G.; Adanin, Vladimir M.; Burkhardt, Guenther; Dahse, Hans-Martin; Graefe, Udo New diketopiperazine alkaloids from Penicillium fellutanum Journal of Natural Products 2000 63 (5) 698-700. | ||
|---|---|---|---|
| DOI | 10.1021/np9903853 | PMID | 10843594 |
