Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023854
PROPERTIES
| NPAID | NPA023854 |
|---|---|
| CLUSTER ID | 6031 |
| NODE ID | 4224 |
| NAME | Columbamide E |
| FORMULA | C23H42Cl3NO3 |
| MOLECULAR WEIGHT (Da) | 486.9520 |
| ACCURATE MASS (Da) | 485.2230 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Moorea |
| ORIGIN SPECIES | bouillonii |
| InChIKey | VKISHKUYLSSBSY-LEWJYISDSA-N |
| InChI | InChI=1S/C23H42Cl3NO3/c1-27(21(18-28)19-30-2)23(29)17-13-9-4-3-6-10-14-20(24)15-11-7-5-8-12-16-22(25)26/h4,9,20-22,28H,3,5-8,10-19H2,1-2H3/t20-,21+/m0/s1 |
| SMILES | CN([C@H](CO)COC)C(=O)CCC=CCCCC[C@@H](CCCCCCCC(Cl)Cl)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lopez, Julius Adam V.; Petitbois, Julie G.; Vairappan, Charles S.; Umezawa, Taiki; Matsuda, Fuyuhiko; Okino, Tatsufumi Columbamides D and E: Chlorinated Fatty Acid Amides from the Marine Cyanobacterium Moorea bouillonii Collected in Malaysia Organic Letters 2017 19 (16) 4231-4234. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.7b01869 | PMID | 28783344 |
