Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00006678010 | Gold | 3 |
COMPOUND NPA031113
PROPERTIES
| NPAID | NPA031113 |
|---|---|
| CLUSTER ID | 9049 |
| NODE ID | 6090 |
| NAME | Conulothiazole C |
| FORMULA | C25H33ClN2OS |
| MOLECULAR WEIGHT (Da) | 445.0720 |
| ACCURATE MASS (Da) | 444.2002 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Trichodesmium |
| ORIGIN SPECIES | sp. |
| InChIKey | FMQFYRHBQHQFMX-GHIRWXSUSA-N |
| InChI | InChI=1S/C25H33ClN2OS/c1-18(10-11-23(17-26)16-22-8-6-5-7-9-22)14-19(2)15-20(3)24(29)28-21(4)25-27-12-13-30-25/h5-9,12-13,15,17-19,21H,10-11,14,16H2,1-4H3,(H,28,29)/b20-15+,23-17- |
| SMILES | C/C(=C\C(C)CC(C)CC/C(=C/Cl)CC1=CC=CC=C1)C(=O)NC(C)C1=NC=CS1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Teta, R; Sala, GD; Esposito, G; Via, CW; Mazzoccoli, C; Piccoli, C; Bertin, MJ; Costantino, V; Mangoni, A A joint molecular networking study of a Smenospongia sponge and a cyanobacterial bloom revealed new antiproliferative chlorinated polyketides. Organic Chemistry Frontiers 2019 6 (11) 1762-1774. | ||
|---|---|---|---|
| DOI | 10.1039/C9QO00074G | PMID | 31871685 |
