Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000205589 | Bronze | Massbank:CA000149&Echinenone |
| CCMSLIB00005777354 | Gold | 3 |
| CCMSLIB00000211460 | Gold | 3 |
| CCMSLIB00012119882 | Gold | 4 |
| CCMSLIB00012119883 | Gold | 4 |
| CCMSLIB00009959679 | Gold | 4 |
| CCMSLIB00009959680 | Gold | 4 |
COMPOUND NPA014019
PROPERTIES
| NPAID | NPA014019 |
|---|---|
| CLUSTER ID | 1378 |
| NODE ID | 1160 |
| NAME | Echinenone |
| FORMULA | C40H54O |
| MOLECULAR WEIGHT (Da) | 550.8710 |
| ACCURATE MASS (Da) | 550.4175 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micrococcus |
| ORIGIN SPECIES | roseus |
| InChIKey | QXNWZXMBUKUYMD-QQGJMDNJSA-N |
| InChI | InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ |
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Schwartzel, E H; Cooney, J J Isolation and identification of echinenone from Micrococcus roseus Journal of Bacteriology 1970 104 (1) 272-274. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541308 | PMID | 5473895 |
