Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024415
PROPERTIES
| NPAID | NPA024415 |
|---|---|
| CLUSTER ID | 7465 |
| NODE ID | 5104 |
| NAME | Ergoyne A |
| FORMULA | C27H34N3O4S+ |
| MOLECULAR WEIGHT (Da) | 496.6530 |
| ACCURATE MASS (Da) | 496.2265 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Gynuella |
| ORIGIN SPECIES | sunshinyii |
| InChIKey | XUBRYJDBDQQVDA-VWFOWSBOSA-O |
| InChI | InChI=1S/C27H33N3O4S/c1-20(2)14-15-21(25(31)32)12-10-8-6-7-9-11-13-23-16-17-35-27-28-22(19-29(23)27)18-24(26(33)34)30(3,4)5/h8,10,13,16-17,19-21,24H,12,14-15,18H2,1-5H3,(H-,31,32,33,34)/p+1/b10-8?,23-13+ |
| SMILES | CC(C)CCC(CC=CC#CC#C/C=C1\C=CSc2nc(CC(C(=O)O)[N+](C)(C)C)cn21)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ueoka, Reiko; Bhushan, Agneya; Probst, Silke I.; Bray, Walter M.; Lokey, R. Scott; Linington, Roger G.; Piel, Jörn Genome-Based Identification of a Plant-Associated Marine Bacterium as a Rich Natural Product Source Angewandte Chemie International Edition 2018 57 (44) 14519-14523. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201805673 | PMID | 30025185 |
