Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025338
PROPERTIES
| NPAID | NPA025338 |
|---|---|
| CLUSTER ID | 29 |
| NODE ID | 28 |
| NAME | Aphidicolin A15 |
| FORMULA | C20H30O6 |
| MOLECULAR WEIGHT (Da) | 366.4540 |
| ACCURATE MASS (Da) | 366.2042 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botryotinia |
| ORIGIN SPECIES | fuckeliana MCCC 3A00494 |
| InChIKey | LYFNKMIDRMKGMD-QWOOYODBSA-N |
| InChI | InChI=1S/C20H30O6/c1-17-6-5-14(21)18(2,15(22)23)13(17)4-3-11-9-12-10-19(11,17)7-8-20(12,26)16(24)25/h11-14,21,26H,3-10H2,1-2H3,(H,22,23)(H,24,25)/t11-,12+,13+,14+,17-,18-,19-,20+/m0/s1 |
| SMILES | C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(C(=O)O)O)(C)C(=O)O)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 |
