Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016417
PROPERTIES
| NPAID | NPA016417 |
|---|---|
| CLUSTER ID | 5609 |
| NODE ID | 3972 |
| NAME | Roussoellatide |
| FORMULA | C19H22Cl2O6 |
| MOLECULAR WEIGHT (Da) | 417.2850 |
| ACCURATE MASS (Da) | 416.0793 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Roussoella |
| ORIGIN SPECIES | sp. DLM33 |
| InChIKey | FIIGEIPJQPSSEU-SWEVXGTLSA-N |
| InChI | InChI=1S/C19H22Cl2O6/c1-5-6-10-11(17(23)24)7-8(2)9(3)12(10)13-14(20)15(22)16(21)19(13,26)18(25)27-4/h5-10,12,16,26H,1-4H3,(H,23,24)/b6-5+/t8-,9-,10+,12+,16+,19+/m0/s1 |
| SMILES | C/C=C/[C@H]1[C@@H]([C@H]([C@H](C=C1C(=O)O)C)C)C2=C(C(=O)[C@H]([C@]2(C(=O)OC)O)Cl)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ferreira, Everton L F; Williams, David E; Ióca, Laura P; Morais-Urano, Raquel P; Santos, Mario F C; Patrick, Brian O; Elias, Luciana M; Lira, Simone P; Ferreira, Antonio G; Passarini, Michel R Z; Sette, Lara D; Andersen, Raymond J; Berlinck, Roberto G S Structure and Biogenesis of Roussoellatide, a Dichlorinated Polyketide from the Marine-Derived Fungus Roussoella sp. DLM33 Organic Letters 2015 17 (21) 5152-5155. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.5b02060 | PMID | 26444492 |
