Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00011427495 | Gold | 3 |
COMPOUND NPA027589
PROPERTIES
| NPAID | NPA027589 |
|---|---|
| CLUSTER ID | 8276 |
| NODE ID | 5626 |
| NAME | Smenamide E |
| FORMULA | C26H43ClN2O5 |
| MOLECULAR WEIGHT (Da) | 499.0920 |
| ACCURATE MASS (Da) | 498.2861 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Trichodesmium |
| ORIGIN SPECIES | sp. |
| InChIKey | IURWMKSBPILHRN-CAPFRKAQSA-N |
| InChI | InChI=1S/C26H43ClN2O5/c1-8-23(30)28(6)13-9-10-20(16-27)12-11-18(4)25(32)19(5)26(33)29-21(14-17(2)3)22(34-7)15-24(29)31/h15-19,21,25,32H,8-14H2,1-7H3/b20-16+ |
| SMILES | CCC(=O)N(C)CCC/C(=C\Cl)CCC(C)C(O)C(C)C(=O)N1C(=O)C=C(OC)C1CC(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Via CW; Glukhov E; Costa S; Zimba PV; Moeller PDR; Gerwick WH; Bertin MJ The Metabolome of a Cyanobacterial Bloom Visualized by MS/MS-Based Molecular Networking Reveals New Neurotoxic Smenamide Analogs (C, D, and E). Frontiers in Chemistry 2018 6 316. | ||
|---|---|---|---|
| DOI | 10.3389/fchem.2018.00316 | PMID | 30094232 |
