Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007262
PROPERTIES
| NPAID | NPA007262 |
|---|---|
| CLUSTER ID | 1663 |
| NODE ID | 1363 |
| NAME | Chromomycin SA3 |
| FORMULA | C52H74O24 |
| MOLECULAR WEIGHT (Da) | 1083.1400 |
| ACCURATE MASS (Da) | 1082.4570 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | QEEWAFQSSOXMIW-GYCRCYRZSA-N |
| InChI | InChI=1S/C52H74O24/c1-19-30(72-36-17-33(47(23(5)69-36)71-25(7)53)75-34-14-29(54)46(64-9)22(4)68-34)13-27-11-26-12-28(49(65-10)51(61)62)48(45(59)40(26)44(58)39(27)41(19)55)76-37-16-31(42(56)21(3)67-37)73-35-15-32(43(57)20(2)66-35)74-38-18-52(8,63)50(60)24(6)70-38/h11,13,20-24,28-29,31-38,42-43,46-50,54-58,60,63H,12,14-18H2,1-10H3,(H,61,62)/t20-,21-,22-,23-,24+,28-,29-,31-,32-,33-,34-,35+,36+,37+,38+,42-,43-,46+,47+,48+,49+,50+,52+/m1/s1 |
| SMILES | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2[C@@H](CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)O[C@H]5C[C@H]([C@H]([C@H](O5)C)OC(=O)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)OC)O)O)[C@@H](C(=O)O)OC)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@H]([C@@H](O8)C)O)(C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hu, Youcai; Espindola, Ana Paula D M; Stewart, Nathan A; Wei, Shuguang; Posner, Bruce A; MacMillan, John B Chromomycin SA analogs from a marine-derived Streptomyces sp Bioorganic and Medicinal Chemistry 2011 19 (17) 5183-5189. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2011.07.013 | PMID | 21807523 |
