Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028974
PROPERTIES
| NPAID | NPA028974 |
|---|---|
| CLUSTER ID | 594 |
| NODE ID | 530 |
| NAME | 8-chlororugulovasine A |
| FORMULA | C16H15ClN2O2 |
| MOLECULAR WEIGHT (Da) | 302.7610 |
| ACCURATE MASS (Da) | 302.0822 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | islandicum |
| InChIKey | SDYOUVJWVNBXPX-BLLLJJGKSA-N |
| InChI | InChI=1S/C16H15ClN2O2/c1-8-6-16(21-15(8)20)10-3-4-11(17)14-13(10)9(7-19-14)5-12(16)18-2/h3-4,6-7,12,18-19H,5H2,1-2H3/t12-,16+/m0/s1 |
| SMILES | CN[C@H]1CC2=C[NH]C3=C(Cl)C=CC(=C23)[C@]12C=C(C)C(=O)O2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Richard J. Cole, Jerry W. Kirksey, Jon Clardy, Nancy Eickman, Steven M.Weinreb, Pratap Singh, Deukjoon Kim Structures of rugulovasine-A and-B and 8-chlororugulovasine-A and-B Tetrahedron Letters 1976 14 (43) 3849-3852. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4039(76)80164-5 | PMID | - |
