Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00010114683 | Gold | 3 |
| CCMSLIB00010126009 | Gold | 3 |
COMPOUND NPA024721
PROPERTIES
| NPAID | NPA024721 |
|---|---|
| CLUSTER ID | 85 |
| NODE ID | 80 |
| NAME | Coumermycin A1 |
| FORMULA | C55H59N5O20 |
| MOLECULAR WEIGHT (Da) | 1110.0920 |
| ACCURATE MASS (Da) | 1109.3753 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | rishiriensis |
| InChIKey | WTIJXIZOODAMJT-DHFGXMAYSA-N |
| InChI | InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1 |
| SMILES | CC1=CC=C(N1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(C7=C(C(=C(C=C7)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)C)OC6=O)O)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | H KAWAGUCHI, T NAITO, H TSUKIURA STUDIES ON COUMERMYCIN. A NEW ANTIBIOTIC. II. STRUCTURE OF COUMERMYCIN A1 Journal of Antibiotics 1965 18 11-25. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3542046 | PMID | 14285468 |
