Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016501
PROPERTIES
| NPAID | NPA016501 |
|---|---|
| CLUSTER ID | 3568 |
| NODE ID | 1016 |
| NAME | Fredericamycin A |
| FORMULA | C30H21NO9 |
| MOLECULAR WEIGHT (Da) | 539.4960 |
| ACCURATE MASS (Da) | 539.1216 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | griseus (FCRC-48) |
| InChIKey | NJLAGDPRCAPJIF-MHSJTTIKSA-N |
| InChI | InChI=1S/C30H21NO9/c1-3-4-5-6-14-10-13-9-12-7-8-30(22(12)26(36)17(13)29(39)31-14)27(37)20-21(28(30)38)25(35)19-18(24(20)34)15(32)11-16(40-2)23(19)33/h3-6,9-11,36-38H,7-8H2,1-2H3,(H,31,39)/b4-3+,6-5+/t30-/m0/s1 |
| SMILES | C/C=C/C=C/C1=CC2=CC3=C(C(=C2C(=O)N1)O)[C@@]4(CC3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=O)C=C(C6=O)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pandey, R C; Toussaint, M W; Stroshane, R M; Kalita, C C; Aszalos, A A; Garretson, A L; Wei, T T; Byrne, K M; Geoghegan, R F; White, R J Fredericamycin A, a new antitumor antibiotic. I. Production, isolation and physicochemical properties Journal of Antibiotics 1981 34 (11) 1389-1401. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.34.1389 | PMID | 6798004 |
