Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007577
PROPERTIES
| NPAID | NPA007577 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Daunomycinone |
| FORMULA | C21H18O8 |
| MOLECULAR WEIGHT (Da) | 398.3670 |
| ACCURATE MASS (Da) | 398.1002 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | peucetius |
| InChIKey | YOFDHOWPGULAQF-MQJDWESPSA-N |
| InChI | InChI=1S/C21H18O8/c1-8(22)21(28)6-10-13(11(23)7-21)19(26)16-15(18(10)25)17(24)9-4-3-5-12(29-2)14(9)20(16)27/h3-5,11,23,25-26,28H,6-7H2,1-2H3/t11-,21-/m0/s1 |
| SMILES | CC(=O)[C@]1(C[C@@H](C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Arcamone, F; Franceschi, G; Orezzi, P; Cassinelli, G; Barbieri, Wanda; Mondelli, Rosanna Daunomycin. I. The structure of daunomycinone Journal of the American Chemical Society 1964 86 (23) 5334-5335. | ||
|---|---|---|---|
| DOI | 10.1021/ja01077a059 | PMID | - |
SYNTHESES
| CITATION 1 | Kende AS; Tsay YG; Mills JE Letter: Total synthesis of (+/-)-daunomycinone and (+/-)-carminomycinone. Journal of the American Chemical Society 1976 98 (7) 1967-1969. DOI: 10.1021/ja00423a056 PMID: 1254856 | ||
|---|---|---|---|
