Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028398
PROPERTIES
| NPAID | NPA028398 |
|---|---|
| CLUSTER ID | 8495 |
| NODE ID | 5754 |
| NAME | Iso-A82775C |
| FORMULA | C16H22O3 |
| MOLECULAR WEIGHT (Da) | 262.3490 |
| ACCURATE MASS (Da) | 262.1569 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | fici |
| InChIKey | UVJMKAOVIXOTGD-XKEBAXICSA-N |
| InChI | InChI=1S/C16H22O3/c1-10(2)5-6-12-9-13(17)15-16(19-15,14(12)18)8-7-11(3)4/h5,7,13-15,17-18H,1,8-9H2,2-4H3/t6?,13-,14+,15-,16+/m0/s1 |
| SMILES | C=C(C)C=C=C1C[C@H](O)[C@@H]2O[C@]2(CC=C(C)C)[C@@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu L; Liu S; Jiang L; Chen X; Guo L; Che Y Chloropupukeananin, the first chlorinated pupukeanane derivative, and its precursors from Pestalotiopsis fici. Organic Letters 2008 10 (7) 1397-1400. | ||
|---|---|---|---|
| DOI | 10.1021/ol800136t | PMID | 18314997 |
