Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027332
PROPERTIES
| NPAID | NPA027332 |
|---|---|
| CLUSTER ID | 8255 |
| NODE ID | 5608 |
| NAME | Janthielamide A |
| FORMULA | C18H28ClNO |
| MOLECULAR WEIGHT (Da) | 309.8810 |
| ACCURATE MASS (Da) | 309.1859 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Symploca |
| ORIGIN SPECIES | sp. |
| InChIKey | MOHXYZAMHAZRDC-GXVZJEIESA-N |
| InChI | InChI=1S/C18H28ClNO/c1-15(2)14-18(21)20-13-11-17(4)10-7-9-16(3)8-5-6-12-19/h5-8,10,12,14,16-17H,9,11,13H2,1-4H3,(H,20,21)/b8-5+,10-7+,12-6-/t16-,17-/m0/s1 |
| SMILES | CC(C)=CC(=O)NCC[C@@H](C)/C=C/C[C@@H](C)/C=C/C=C\Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Nunnery JK; Engene N; Byrum T; Cao Z; Jabba SV; Pereira AR; Matainaho T; Murray TF; Gerwick WH Biosynthetically intriguing chlorinated lipophilic metabolites from geographically distant tropical marine cyanobacteria. Journal of Organic Chemistry 2012 77 (9) 4198-4208. | ||
|---|---|---|---|
| DOI | 10.1021/jo300160e | PMID | 22489775 |
