Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028973
PROPERTIES
| NPAID | NPA028973 |
|---|---|
| CLUSTER ID | 594 |
| NODE ID | 530 |
| NAME | Rugulovasine B |
| FORMULA | C16H16N2O2 |
| MOLECULAR WEIGHT (Da) | 268.3160 |
| ACCURATE MASS (Da) | 268.1212 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | islandicum |
| InChIKey | QTWQJTORJVFWAQ-CZUORRHYSA-N |
| InChI | InChI=1S/C16H16N2O2/c1-9-7-16(20-15(9)19)11-4-3-5-12-14(11)10(8-18-12)6-13(16)17-2/h3-5,7-8,13,17-18H,6H2,1-2H3/t13-,16-/m1/s1 |
| SMILES | CN[C@@H]1CC2=C[NH]C3=CC=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 | - |
