Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00012475052 | Gold | 3 |
COMPOUND NPA018524
PROPERTIES
| NPAID | NPA018524 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Roseotoxin B |
| FORMULA | C30H49N5O7 |
| MOLECULAR WEIGHT (Da) | 591.7500 |
| ACCURATE MASS (Da) | 591.3632 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichothecium |
| ORIGIN SPECIES | roseum |
| InChIKey | GZRXQMYGOOOMFR-KYUXFNSZSA-N |
| InChI | InChI=1S/C30H49N5O7/c1-10-12-21-28(39)35-16-14-19(6)25(35)27(38)32-23(18(5)11-2)29(40)34(9)24(17(3)4)30(41)33(8)20(7)26(37)31-15-13-22(36)42-21/h10,17-21,23-25H,1,11-16H2,2-9H3,(H,31,37)(H,32,38)/t18-,19-,20-,21+,23-,24-,25-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CC[C@@H]([C@H]2C(=O)N1)C)CC=C)C)C)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Springer, James P.; Cole, Richard J.; Dorner, Joe W.; Cox, Richard H.; Richard, John L.; et al. Structure and Conformation of Rosetoxin B Journal of the American Chemical Society 1984 106 (8) 2388-2392. | ||
|---|---|---|---|
| DOI | 10.1021/ja00320a028 | PMID | - |
