Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000531484 | Bronze | Roseotoxin&A |
COMPOUND NPA007179
PROPERTIES
| NPAID | NPA007179 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Roseocardin |
| FORMULA | C31H53N5O7 |
| MOLECULAR WEIGHT (Da) | 607.7930 |
| ACCURATE MASS (Da) | 607.3945 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichothecium |
| ORIGIN SPECIES | roseum TT103 |
| InChIKey | IXHIUUIJSWNPTJ-AIOHJFOTSA-N |
| InChI | InChI=1S/C31H53N5O7/c1-11-19(6)24-30(41)35(10)25(18(4)5)31(42)34(9)21(8)27(38)32-14-12-23(37)43-22(16-17(2)3)29(40)36-15-13-20(7)26(36)28(39)33-24/h17-22,24-26H,11-16H2,1-10H3,(H,32,38)(H,33,39)/t19-,20-,21-,22+,24-,25-,26-/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)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tsunoo, Akinobu; Kamijo, Masayuki; Taketomo, Naoki; Sato, Yoshio; Ajisaka, Katsumi Roseocardin, a novel cardiotonic cyclodepsipeptide from Trichothecium roseum TT103 Journal of Antibiotics 1997 50 (12) 1007-1013. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.50.1007 | PMID | 9510906 |
