Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA031403
PROPERTIES
| NPAID | NPA031403 |
|---|---|
| CLUSTER ID | 9166 |
| NODE ID | 1933 |
| NAME | Staphyloxanthin |
| FORMULA | C51H78O8 |
| MOLECULAR WEIGHT (Da) | 819.1770 |
| ACCURATE MASS (Da) | 818.5697 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Staphylococcus |
| ORIGIN SPECIES | aureus |
| InChIKey | PDOUICUKTQRPHO-MENSNCDRSA-N |
| InChI | InChI=1S/C51H78O8/c1-10-39(4)26-17-15-13-11-12-14-16-18-36-46(52)57-37-45-47(53)48(54)49(55)51(58-45)59-50(56)44(9)35-24-34-43(8)33-23-31-41(6)28-20-19-27-40(5)30-22-32-42(7)29-21-25-38(2)3/h19-20,22-25,27-28,30-35,39,45,47-49,51,53-55H,10-18,21,26,29,36-37H2,1-9H3/b20-19+,30-22+,31-23+,34-24+,40-27+,41-28+,42-32+,43-33+,44-35+/t39?,45-,47-,48+,49-,51+/m1/s1 |
| SMILES | CCC(C)CCCCCCCCCCC(=O)OC[C@H]1O[C@@H](OC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C)[C@H](O)[C@@H](O)[C@@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | JOHN H. MARSHALL AND GREGORY J. WILMOTH Pigments of Staphylococcus aureus, a series of triterpenoid carotenoids Journal of Bacteriology 1981 147 (3) 900-913. | ||
|---|---|---|---|
| DOI | 10.1128/JB.147.3.900-913.1981 | PMID | - |
