Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025368
PROPERTIES
| NPAID | NPA025368 |
|---|---|
| CLUSTER ID | 7684 |
| NODE ID | 5249 |
| NAME | Aphidicolin A42 |
| FORMULA | C22H32O5 |
| MOLECULAR WEIGHT (Da) | 376.4930 |
| ACCURATE MASS (Da) | 376.2250 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botryotinia |
| ORIGIN SPECIES | fuckeliana MCCC 3A00494 |
| InChIKey | YSZOPKFZKQTCBL-ALHBQKHBSA-N |
| InChI | InChI=1S/C22H32O5/c1-14(24)27-13-22(26)9-8-21-11-16(22)10-15(21)4-5-17-19(2,12-23)18(25)6-7-20(17,21)3/h4-5,10,16-18,23,25-26H,6-9,11-13H2,1-3H3/t16-,17+,18-,19+,20+,21+,22+/m1/s1 |
| SMILES | CC(=O)OC[C@]1(CC[C@]23C[C@H]1C=C2C=C[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)CO)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 |
