Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009234
PROPERTIES
| NPAID | NPA009234 |
|---|---|
| CLUSTER ID | 84 |
| NODE ID | 79 |
| NAME | Graphiumin F |
| FORMULA | C36H50N2O9S2 |
| MOLECULAR WEIGHT (Da) | 718.9350 |
| ACCURATE MASS (Da) | 718.2958 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Graphium |
| ORIGIN SPECIES | sp. OPMF00224 |
| InChIKey | NGEGLVLHXITUQH-UNGBEAOESA-N |
| InChI | InChI=1S/C36H50N2O9S2/c1-5-7-9-13-25(39)18-29(41)46-27-15-11-12-23-20-35(48-3)33(43)38-32-24(21-36(38,49-4)34(44)37(35)31(23)27)22-45-17-16-28(32)47-30(42)19-26(40)14-10-8-6-2/h11-12,15-17,22,25-28,31-32,39-40H,5-10,13-14,18-21H2,1-4H3/t25-,26-,27-,28-,31-,32-,35+,36+/m0/s1 |
| SMILES | CCCCC[C@@H](CC(=O)O[C@H]1C=CC=C2[C@@H]1N3C(=O)[C@@]4(CC5=COC=C[C@@H]([C@H]5N4C(=O)[C@@]3(C2)SC)OC(=O)C[C@H](CCCCC)O)SC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fukuda, Takashi; Shinkai, Minori; Sasaki, Eri; Nagai, Kenichiro; Kurihara, Yuko; Kanamoto, Akihiko; Tomoda, Hiroshi Graphiumins, new thiodiketopiperazines from the marine-derived fungus Graphium sp. OPMF00224 Journal of Antibiotics 2015 68 (10) 620-627. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2015.41 | PMID | 25899125 |
