Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004752853 | Gold | 1 |
COMPOUND NPA027591
PROPERTIES
| NPAID | NPA027591 |
|---|---|
| CLUSTER ID | 8276 |
| NODE ID | 5626 |
| NAME | Smenamide C |
| FORMULA | C25H39ClN2O4 |
| MOLECULAR WEIGHT (Da) | 467.0500 |
| ACCURATE MASS (Da) | 466.2598 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Trichodesmium |
| ORIGIN SPECIES | sp. |
| InChIKey | VZXRJCLKLPORSH-MZNYJUHOSA-N |
| InChI | InChI=1S/C25H39ClN2O4/c1-17(2)13-22-23(32-7)15-24(30)28(22)25(31)19(4)14-18(3)10-11-21(16-26)9-8-12-27(6)20(5)29/h14-18,22H,8-13H2,1-7H3/b19-14+,21-16+/t18-,22+/m1/s1 |
| SMILES | COC1=CC(=O)N(C(=O)/C(C)=C/[C@H](C)CC/C(=C/Cl)CCCN(C)C(C)=O)[C@H]1CC(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 |
