Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001627
PROPERTIES
| NPAID | NPA001627 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Cosmomycin D |
| FORMULA | C60H88N2O22 |
| MOLECULAR WEIGHT (Da) | 1189.3560 |
| ACCURATE MASS (Da) | 1188.5829 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | cosmosus TMF518 |
| InChIKey | DKWBRHNUUTWKAG-JNZMSYBZSA-N |
| InChI | InChI=1S/C60H88N2O22/c1-12-60(72)24-39(79-42-20-32(61(8)9)55(27(4)75-42)82-44-22-37(66)57(29(6)77-44)80-40-18-16-34(63)25(2)73-40)47-50(54(71)48-49(53(47)70)52(69)46-31(51(48)68)14-13-15-36(46)65)59(60)84-43-21-33(62(10)11)56(28(5)76-43)83-45-23-38(67)58(30(7)78-45)81-41-19-17-35(64)26(3)74-41/h13-15,25-30,32-35,37-45,55-59,63-67,70-72H,12,16-24H2,1-11H3/t25-,26-,27-,28-,29-,30-,32-,33-,34-,35-,37-,38-,39-,40-,41-,42-,43-,44-,45-,55+,56+,57+,58+,59+,60+/m0/s1 |
| SMILES | CC[C@]1(C[C@@H](C2=C(C3=C(C(=C2[C@H]1O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6CC[C@@H]([C@@H](O6)C)O)O)N(C)C)O)C(=O)C7=C(C3=O)C(=CC=C7)O)O)O[C@H]8C[C@@H]([C@@H]([C@@H](O8)C)O[C@H]9C[C@@H]([C@@H]([C@@H](O9)C)O[C@H]1CC[C@@H]([C@@H](O1)C)O)O)N(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ando, Toshihiko; Hirayama, Kazuo; Takahashi, Rei; Horino, Issei; Etoh, Yuzuru; Morioka, Hajimu; Shibai, Hiroshiro; Murai, Asao Cosmomycin D, a new anthracycline antibiotic Agricultural and Biological Chemistry 1985 49 (1) 259-262. | ||
|---|---|---|---|
| DOI | 10.1271/bbb1961.49.259 | PMID | - |
