Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007302
PROPERTIES
| NPAID | NPA007302 |
|---|---|
| CLUSTER ID | 3281 |
| NODE ID | 2499 |
| NAME | Coronatine |
| FORMULA | C18H25NO4 |
| MOLECULAR WEIGHT (Da) | 319.4010 |
| ACCURATE MASS (Da) | 319.1784 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | coronafacience var. atropurpurea |
| InChIKey | FMGBNISRFNDECK-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H25NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h8,10-13H,3-7,9H2,1-2H3,(H,19,21)(H,22,23) |
| SMILES | CCC1CC2C(CCC2=O)C(=C1)C(=O)NC3(CC3CC)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ichihara, Akitami; Shiraishi, Kunio; Sato, Hiroji; Sakamura, Sadao; Nishiyama, Koji; Sakai, Ryutaro; Furusaki, Akio; Matsumoto, Takeshi The structure of coronatine Journal of the American Chemical Society 1977 99 (2) 636-637. | ||
|---|---|---|---|
| DOI | 10.1021/ja00444a067 | PMID | - |
