Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00006678009 | Gold | 3 |
COMPOUND NPA031112
PROPERTIES
| NPAID | NPA031112 |
|---|---|
| CLUSTER ID | 9049 |
| NODE ID | 6090 |
| NAME | Isoconulothiazole B |
| FORMULA | C22H27ClN2OS |
| MOLECULAR WEIGHT (Da) | 402.9910 |
| ACCURATE MASS (Da) | 402.1533 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Trichodesmium |
| ORIGIN SPECIES | sp. |
| InChIKey | UVEMTFXECCTWBX-JJNFMDHOSA-N |
| InChI | InChI=1S/C22H27ClN2OS/c1-16(9-10-20(15-23)14-19-7-5-4-6-8-19)13-17(2)21(26)25-18(3)22-24-11-12-27-22/h4-8,11-13,15-16,18H,9-10,14H2,1-3H3,(H,25,26)/b17-13+,20-15-/t16?,18-/m0/s1 |
| SMILES | C/C(=C\C(C)CC/C(=C/Cl)CC1=CC=CC=C1)C(=O)N[C@@H](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 |
