Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478652 | Gold | 3 |
COMPOUND NPA024787
PROPERTIES
| NPAID | NPA024787 |
|---|---|
| CLUSTER ID | 7559 |
| NODE ID | 5173 |
| NAME | Psymberin |
| FORMULA | C31H47NO11 |
| MOLECULAR WEIGHT (Da) | 609.7130 |
| ACCURATE MASS (Da) | 609.3149 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | bacterium |
| InChIKey | BNNIEBYABSNREN-OYLIQNMHSA-N |
| InChI | InChI=1S/C31H47NO11/c1-14(2)9-22(40-7)27(37)28(38)32-29(41-8)23-13-24(36)31(5,6)25(42-23)12-19(34)16(4)21-10-17-15(3)18(33)11-20(35)26(17)30(39)43-21/h11,16,19,21-25,27,29,33-37H,1,9-10,12-13H2,2-8H3,(H,32,38)/t16-,19+,21-,22?,23+,24-,25-,27?,29+/m1/s1 |
| SMILES | C=C(C)CC(OC)C(O)C(=O)N[C@@H](OC)[C@@H]1C[C@@H](O)C(C)(C)[C@@H](C[C@H](O)[C@@H](C)[C@H]2CC3=C(C)C(O)=CC(O)=C3C(=O)O2)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Katja M Fisch, Cristian Gurgui, Nina Heycke, Sonia A van der Sar, Sally A Anderson, Victoria L Webb, Stefan Taudien, Matthias Platzer, Brent K Rubio, Sarah J Robinson, Phillip Crews, Jörn Piel Polyketide assembly lines of uncultivated sponge symbionts from structure-based gene targeting Nature Chemical Biology 2009 5 494-501. | ||
|---|---|---|---|
| DOI | 10.1038/nchembio.176 | PMID | - |
