Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000531502 | Gold | 3 |
| CCMSLIB00005464639 | Gold | 3 |
| CCMSLIB00005464640 | Gold | 3 |
COMPOUND NPA027274
PROPERTIES
| NPAID | NPA027274 |
|---|---|
| CLUSTER ID | 6031 |
| NODE ID | 4224 |
| NAME | Columbamide C |
| FORMULA | C21H39Cl2NO3 |
| MOLECULAR WEIGHT (Da) | 424.4530 |
| ACCURATE MASS (Da) | 423.2307 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Moorea |
| ORIGIN SPECIES | bouillonii |
| InChIKey | HFTYBOHUADLAJY-KRTLOWCSSA-N |
| InChI | InChI=1S/C21H39Cl2NO3/c1-24(20(17-25)18-27-2)21(26)15-11-6-4-3-5-9-13-19(23)14-10-7-8-12-16-22/h4,6,19-20,25H,3,5,7-18H2,1-2H3/b6-4+/t19?,20-/m1/s1 |
| SMILES | COC[C@@H](CO)N(C)C(=O)CC/C=C/CCCCC(Cl)CCCCCCCl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kleigrewe K; Almaliti J; Tian IY; Kinnel RB; Korobeynikov A; Monroe EA; Duggan BM; Di Marzo V; Sherman DH; Dorrestein PC; Gerwick L; Gerwick WH Combining Mass Spectrometric Metabolic Profiling with Genomic Analysis: A Powerful Approach for Discovering Natural Products from Cyanobacteria. Journal of Natural Products 2015 78 (7) 1671-1682. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.5b00301 | PMID | 26149623 |
