Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025336
PROPERTIES
| NPAID | NPA025336 |
|---|---|
| CLUSTER ID | 29 |
| NODE ID | 28 |
| NAME | Aphidicolin A13 |
| FORMULA | C22H36O6 |
| MOLECULAR WEIGHT (Da) | 396.5240 |
| ACCURATE MASS (Da) | 396.2512 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botryotinia |
| ORIGIN SPECIES | fuckeliana MCCC 3A00494 |
| InChIKey | JVAKWTVGVJCPDU-CDKGFNLYSA-N |
| InChI | InChI=1S/C22H36O6/c1-14(25)28-13-22(27)8-7-20-10-16(22)9-15(20)3-4-17-19(2,11-23)18(26)5-6-21(17,20)12-24/h15-18,23-24,26-27H,3-13H2,1-2H3/t15-,16+,17-,18+,19-,20-,21+,22-/m0/s1 |
| SMILES | CC(=O)OC[C@]1(CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)CO)O)CO)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 |
