Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018601
PROPERTIES
| NPAID | NPA018601 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Roquefortine F |
| FORMULA | C23H25N5O3 |
| MOLECULAR WEIGHT (Da) | 419.4850 |
| ACCURATE MASS (Da) | 419.1957 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. |
| InChIKey | UGXLTDJSORIITQ-QTJDKHMESA-N |
| InChI | InChI=1S/C23H25N5O3/c1-5-22(2,3)23-11-18-19(29)26-16(10-14-12-24-13-25-14)20(30)27(18)21(23)28(31-4)17-9-7-6-8-15(17)23/h5-10,12-13,18,21H,1,11H2,2-4H3,(H,24,25)(H,26,29)/b16-10+/t18-,21+,23+/m0/s1 |
| SMILES | CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1N(C5=CC=CC=C25)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Du, Lin; Li, Dehai; Zhu, Tianjiao; Cai, Shengxin; Wang, Fengping; Xiao, Xiang; Gu, Qianqun New alkaloids and diterpenes from a deep ocean sediment derived fungus Penicillium sp Tetrahedron 2009 65 (5) 1033-1039. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2008.11.078 | PMID | - |
