Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009403
PROPERTIES
| NPAID | NPA009403 |
|---|---|
| CLUSTER ID | 3895 |
| NODE ID | 2912 |
| NAME | Virginiamycin S1 |
| FORMULA | C43H49N7O10 |
| MOLECULAR WEIGHT (Da) | 823.9040 |
| ACCURATE MASS (Da) | 823.3541 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | virginiae |
| InChIKey | FEPMHVLSLDOMQC-IYPFLVAKSA-N |
| InChI | InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)/t25-,29-,30+,31+,32+,34+,35+/m1/s1 |
| SMILES | CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=CC=C6)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Vanderhaeghe, Hubert; Parmentier, Guido The Structure of Factor S of Staphylomycin1 Journal of the American Chemical Society 1960 82 (16) 4414-4422. | ||
|---|---|---|---|
| DOI | 10.1021/ja01501a070 | PMID | - |
