Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001273
PROPERTIES
| NPAID | NPA001273 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | (S,S)-Anacine |
| FORMULA | C18H22N4O3 |
| MOLECULAR WEIGHT (Da) | 342.3990 |
| ACCURATE MASS (Da) | 342.1692 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | aurantiogriseum |
| InChIKey | UAOSLESQKDQZRL-KBPBESRZSA-N |
| InChI | InChI=1S/C18H22N4O3/c1-10(2)9-13-16-20-12-6-4-3-5-11(12)18(25)22(16)14(17(24)21-13)7-8-15(19)23/h3-6,10,13-14H,7-9H2,1-2H3,(H2,19,23)(H,21,24)/t13-,14-/m0/s1 |
| SMILES | CC(C)C[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@H](C(=O)N1)CCC(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Boyes-Korkis, Jane M.; Gurney, Karen A.; Penn, Julia; Mantle, Peter G.; Bilton, John N.; Sheppard, Richard N. Anacine, a New Benzodiazepine Metabolite of Penicillium aurantiogriseum Produced with Other Alkaloids in Submerged Fermentation Journal of Natural Products 1993 56 (10) 1707-1717. | ||
|---|---|---|---|
| DOI | 10.1021/np50100a008 | PMID | - |
