Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014856
PROPERTIES
| NPAID | NPA014856 |
|---|---|
| CLUSTER ID | 148 |
| NODE ID | 140 |
| NAME | 8-Acetamido-1,1,1,15,15,15-hexachloropentadeca-3,12-diyne |
| FORMULA | C17H21Cl6NO |
| MOLECULAR WEIGHT (Da) | 468.0790 |
| ACCURATE MASS (Da) | 464.9754 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcoleus |
| ORIGIN SPECIES | lyngbyaceus |
| InChIKey | LRVUEDNFXURUBM-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H21Cl6NO/c1-14(25)24-15(10-6-2-4-8-12-16(18,19)20)11-7-3-5-9-13-17(21,22)23/h15H,2-3,6-7,10-13H2,1H3,(H,24,25) |
| SMILES | CC(=O)NC(CCCC#CCC(Cl)(Cl)Cl)CCCC#CCC(Cl)(Cl)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Orsini, Michael A.; Pannell, Lewis K.; Erickson, Karen L. Polychlorinated acetamides from the cyanobacterium Microcoleus lyngbyaceus Journal of Natural Products 2001 64 (5) 572-577. | ||
|---|---|---|---|
| DOI | 10.1021/np000452p | PMID | 11374946 |
