Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007674
PROPERTIES
| NPAID | NPA007674 |
|---|---|
| CLUSTER ID | 3399 |
| NODE ID | 2571 |
| NAME | X-206 |
| FORMULA | C47H82O14 |
| MOLECULAR WEIGHT (Da) | 871.1590 |
| ACCURATE MASS (Da) | 870.5705 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | XSBSGLXIQBCTKN-SARHNJKISA-N |
| InChI | InChI=1S/C47H82O14/c1-12-37-42(9,52)19-18-38(57-37)43(10)23-29(6)47(55,61-43)44(11)20-17-35(58-44)40(49)46(54)28(5)21-26(3)36(60-46)24-45(53)27(4)14-16-34(59-45)30(7)33(48)22-32-15-13-25(2)39(56-32)31(8)41(50)51/h25-40,48-49,52-55H,12-24H2,1-11H3,(H,50,51)/t25-,26-,27-,28+,29+,30-,31+,32+,33+,34+,35-,36+,37-,38+,39-,40+,42+,43-,44-,45+,46+,47+/m0/s1 |
| SMILES | CC[C@H]1[C@](CC[C@@H](O1)[C@@]2(C[C@H]([C@@](O2)([C@@]3(CC[C@H](O3)[C@H]([C@]4([C@@H](C[C@@H]([C@H](O4)C[C@@]5([C@H](CC[C@@H](O5)[C@@H](C)[C@@H](C[C@H]6CC[C@@H]([C@H](O6)[C@@H](C)C(=O)O)C)O)C)O)C)C)O)O)C)O)C)C)(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Blount, John F; Westley, John W Crystal and molecular structure of the free acid form of antibiotic X-206 hydrate Journal of the Chemical Society, Chemical Communications 1975 (13) 533-533. | ||
|---|---|---|---|
| DOI | 10.1039/c39750000533 | PMID | - |
