Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000075323 | Gold | 3!CCMSLIB00000075324 |
COMPOUND NPA024800
PROPERTIES
| NPAID | NPA024800 |
|---|---|
| CLUSTER ID | 7563 |
| NODE ID | 141 |
| NAME | Nordidemnin B |
| FORMULA | C56H87N7O15 |
| MOLECULAR WEIGHT (Da) | 1098.3460 |
| ACCURATE MASS (Da) | 1097.6260 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Tistrella |
| ORIGIN SPECIES | mobilis YIT 12409 |
| InChIKey | CKVQLVKUIHIXIC-WSWSWPEESA-N |
| InChI | InChI=1S/C56H87N7O15/c1-29(2)25-38-53(72)63-24-16-18-40(63)55(74)61(13)42(27-36-19-21-37(76-14)22-20-36)56(75)77-35(11)46(59-50(69)41(26-30(3)4)60(12)54(73)39-17-15-23-62(39)52(71)34(10)64)51(70)58-45(31(5)6)43(65)28-44(66)78-48(32(7)8)47(67)33(9)49(68)57-38/h19-22,29-35,38-43,45-46,48,64-65H,15-18,23-28H2,1-14H3,(H,57,68)(H,58,70)(H,59,69)/t33-,34-,35+,38-,39-,40-,41?,42-,43-,45+,46-,48-/m0/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)N[C@@H]([C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O1)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O)C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Moriya Tsukimoto; Masato Nagaoka; Yoshiyuki Shishido; Junji Fujimoto; Fukiko Nishisaka; Sachiko Matsumoto; Enjuro Harunari; Chiaki Imada; Takeshi Matsuzaki Bacterial Production of the Tunicate-Derived Antitumor Cyclic Depsipeptide Didemnin B Journal of Natural Products 2011 74 (11) 2329-2331. | ||
|---|---|---|---|
| DOI | 10.1021/np200543z | PMID | - |
