Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025400
PROPERTIES
| NPAID | NPA025400 |
|---|---|
| CLUSTER ID | 7691 |
| NODE ID | 28 |
| NAME | Aphidicolin A71 |
| FORMULA | C19H28O4 |
| MOLECULAR WEIGHT (Da) | 320.4290 |
| ACCURATE MASS (Da) | 320.1988 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botryotinia |
| ORIGIN SPECIES | fuckeliana MCCC 3A00494 |
| InChIKey | MTQXSVCSGJOCJW-KLACQSGDSA-N |
| InChI | InChI=1S/C19H28O4/c1-17-9-15(22)6-12(10-20)16(17)3-2-13-7-14-8-18(13,17)4-5-19(14,23)11-21/h6,13-14,16,20-21,23H,2-5,7-11H2,1H3/t13-,14+,16-,17-,18-,19-/m0/s1 |
| SMILES | C[C@]12CC(=O)C=C([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Niu S; Xia JM; Li Z; Yang LH; Yi ZW; Xie CL; Peng G; Luo ZH; Shao Z; Yang XW Aphidicolin Chemistry of the Deep-Sea-Derived Fungus Botryotinia fuckeliana MCCC 3A00494. Journal of Natural Products 2019 82 (8) 2307-2331. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.9b00705 | PMID | 31403790 |
