Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018444
PROPERTIES
| NPAID | NPA018444 |
|---|---|
| CLUSTER ID | 246 |
| NODE ID | 226 |
| NAME | Myrothecol C |
| FORMULA | C22H32O5 |
| MOLECULAR WEIGHT (Da) | 376.4930 |
| ACCURATE MASS (Da) | 376.2250 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Myrothecium |
| ORIGIN SPECIES | sp. SC0265 |
| InChIKey | VUZUKTHJOMFUTI-XKFBSPQISA-N |
| InChI | InChI=1S/C22H32O5/c1-13-5-6-16-20(2,12-24)7-4-8-21(16,3)15(13)10-22-17(25)9-14(11-23)18(26)19(22)27-22/h9,15-16,18-19,23-24,26H,1,4-8,10-12H2,2-3H3/t15-,16-,18-,19+,20-,21+,22-/m0/s1 |
| SMILES | C[C@]1(CCC[C@]2([C@H]1CCC(=C)[C@@H]2C[C@]34[C@H](O3)[C@H](C(=CC4=O)CO)O)C)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fu, Ying; Wu, Ping; Xue, Jinghua; Wei, Xiaoyi Cytotoxic and antibacterial quinone sesquiterpenes from a Myrothecium Fungus Journal of Natural Products 2014 77 (8) 1791-1799. | ||
|---|---|---|---|
| DOI | 10.1021/np500142g | PMID | 25089733 |
