Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025627
PROPERTIES
| NPAID | NPA025627 |
|---|---|
| CLUSTER ID | 7737 |
| NODE ID | 5277 |
| NAME | Circumdatin M |
| FORMULA | C18H13N3O4 |
| MOLECULAR WEIGHT (Da) | 335.3190 |
| ACCURATE MASS (Da) | 335.0906 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. FM242 |
| InChIKey | IFIGUYSVQWTYDX-GFCCVEGCSA-N |
| InChI | InChI=1S/C18H13N3O4/c22-13-7-9-25-15-14(13)19-16-12-6-3-8-20(12)17(23)10-4-1-2-5-11(10)21(16)18(15)24/h1-2,4-5,7,9,12H,3,6,8H2/t12-/m1/s1 |
| SMILES | O=C1C2=CC=CC=C2N2C(=NC3=C(OC=CC3=O)C2=O)[C@H]2CCCN12 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang, Fuqian; Hu, Zhenquan; Li, Chunshun; Wu, Xiaohua; Cao, Shugeng Circumdatin M, a new benzodiazepine alkaloid with a unique pyrimidone-4-pyrone moiety from a Hawaiian marine fungus Aspergillus sp. FM242 Tetrahedron Letters 2019 60 (26) 1724-1726. | ||
|---|---|---|---|
| DOI | 10.1016/j.tetlet.2019.05.061 | PMID | - |
