Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005723363 | Gold | 3 |
COMPOUND NPA033517
PROPERTIES
| NPAID | NPA033517 |
|---|---|
| CLUSTER ID | 9637 |
| NODE ID | 6442 |
| NAME | (Z)-ω-6-undecenyltyrazolone |
| FORMULA | C21H27NO3 |
| MOLECULAR WEIGHT (Da) | 341.4510 |
| ACCURATE MASS (Da) | 341.1991 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudoalteromonas |
| ORIGIN SPECIES | rubra DSM 6842 |
| InChIKey | QHJKZPMGZZKRDZ-LUEOCVAUSA-N |
| InChI | InChI=1S/C21H27NO3/c1-2-3-4-5-6-7-8-9-10-11-20-22-19(21(24)25-20)16-17-12-14-18(23)15-13-17/h7-8,12-16,23H,2-6,9-11H2,1H3/b8-7-,19-16? |
| SMILES | CCCCCC/C=C\CCCC1=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 |
