Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005723543 | Gold | 3 |
COMPOUND NPA033514
PROPERTIES
| NPAID | NPA033514 |
|---|---|
| CLUSTER ID | 9637 |
| NODE ID | 6442 |
| NAME | Heptyltyrazolone |
| FORMULA | C17H21NO3 |
| MOLECULAR WEIGHT (Da) | 287.3590 |
| ACCURATE MASS (Da) | 287.1521 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudoalteromonas |
| ORIGIN SPECIES | rubra DSM 6842 |
| InChIKey | YFJGKMTXYRZHKG-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H21NO3/c1-2-3-4-5-6-7-16-18-15(17(20)21-16)12-13-8-10-14(19)11-9-13/h8-12,19H,2-7H2,1H3 |
| SMILES | CCCCCCCC1=NC(=CC2=CC=C(O)C=C2)C(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | de Rond, Tristan; Asay, Julia E.; Moore, Bradley S. Co-occurrence of enzyme domains guides the discovery of an oxazolone synthetase Nature Chemical Biology 2021 17 (7) 794-799. | ||
|---|---|---|---|
| DOI | 10.1038/s41589-021-00808-4 | PMID | 34099916 |
