Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005464641 | Gold | 3 |
| CCMSLIB00000531500 | Gold | 3 |
| CCMSLIB00000531501 | Gold | 3 |
| CCMSLIB00009919029 | Gold | 3 |
| CCMSLIB00005464642 | Gold | 3 |
| CCMSLIB00005464643 | Gold | 3 |
COMPOUND NPA027273
PROPERTIES
| NPAID | NPA027273 |
|---|---|
| CLUSTER ID | 6031 |
| NODE ID | 4224 |
| NAME | Columbamide B |
| FORMULA | C23H40Cl3NO4 |
| MOLECULAR WEIGHT (Da) | 500.9350 |
| ACCURATE MASS (Da) | 499.2023 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Moorea |
| ORIGIN SPECIES | bouillonii |
| InChIKey | JBEYLLUXESVNSE-QOZDHKFNSA-N |
| InChI | InChI=1S/C23H40Cl3NO4/c1-19(28)31-18-21(17-30-3)27(2)23(29)16-12-7-5-4-6-9-13-20(24)14-10-8-11-15-22(25)26/h5,7,20-22H,4,6,8-18H2,1-3H3/b7-5+/t20?,21-/m0/s1 |
| SMILES | COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCCC(Cl)CCCCCC(Cl)Cl |
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 |
