Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033176
PROPERTIES
| NPAID | NPA033176 |
|---|---|
| CLUSTER ID | 9559 |
| NODE ID | 6400 |
| NAME | Botcinin K |
| FORMULA | C22H34O7 |
| MOLECULAR WEIGHT (Da) | 410.5070 |
| ACCURATE MASS (Da) | 410.2305 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botrytis |
| ORIGIN SPECIES | cinerea B05.10 |
| InChIKey | OBRXVVKCKIFOHM-VOBDGNIVSA-N |
| InChI | InChI=1S/C22H34O7/c1-7-8-9-10-11-12-16(24)27-18-14(3)19-22(6,29-21(18,5)15(4)23)17(25)13(2)20(26)28-19/h11-14,17-19,25H,7-10H2,1-6H3/b12-11+/t13-,14-,17+,18-,19+,21+,22-/m1/s1 |
| SMILES | CCCCC/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@H]2OC(=O)[C@H](C)[C@H](O)[C@@]2(C)O[C@@]1(C)C(C)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Moraga, Javier; Izquierdo-Bueno Reina, Inmaculada; Pinedo, Cristina; Hernández-Galán, Rosario; Viaud, Muriel; Collado, Isidro G. Impairment of botrydial production in Botrytis cinerea allows the isolation of undescribed polyketides and reveals new insights into the botcinins biosynthetic pathway Phytochemistry 2021 183 (None) None. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytochem.2020.112627 | PMID | 33429353 |
