Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025396
PROPERTIES
| NPAID | NPA025396 |
|---|---|
| CLUSTER ID | 7689 |
| NODE ID | 5252 |
| NAME | Aphidicolin A68 |
| FORMULA | C21H28O5 |
| MOLECULAR WEIGHT (Da) | 360.4500 |
| ACCURATE MASS (Da) | 360.1937 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botryotinia |
| ORIGIN SPECIES | fuckeliana MCCC 3A00494 |
| InChIKey | NVWPECNLPBBETL-FTWGMDGFSA-N |
| InChI | InChI=1S/C21H28O5/c1-12-16(23)4-5-19(3)18(12)17(24)9-14-8-15-10-20(14,19)6-7-21(15,25)11-26-13(2)22/h14-15,25H,4-11H2,1-3H3/t14-,15-,19+,20+,21+/m1/s1 |
| SMILES | CC1=C2C(=O)C[C@H]3C[C@@H]4C[C@@]3([C@]2(CCC1=O)C)CC[C@@]4(COC(=O)C)O |
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 |
