Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018137
PROPERTIES
| NPAID | NPA018137 |
|---|---|
| CLUSTER ID | 1957 |
| NODE ID | 1571 |
| NAME | Vaccinol E |
| FORMULA | C17H22O5 |
| MOLECULAR WEIGHT (Da) | 306.3580 |
| ACCURATE MASS (Da) | 306.1467 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | vaccinii |
| InChIKey | CEGDGMVESFOELX-DDTOSNHZSA-N |
| InChI | InChI=1S/C17H22O5/c1-9(2)4-5-11-6-7-12(19)16-15(11)13(20)8-14(10(3)18)22-17(16)21/h4,6-7,10,13-14,18-20H,5,8H2,1-3H3/t10-,13+,14-/m1/s1 |
| SMILES | C[C@H]([C@H]1C[C@@H](C2=C(C=CC(=C2C(=O)O1)O)CC=C(C)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang, Junfeng; Wei, Xiaoyi; Lu, Xin; Xu, Fuquan; Wan, Junting; Lin, Xiuping; Zhou, Xuefeng; Liao, Shengrong; Yang, Bin; Tu, Zhengchao; Liu, Yonghong Eight new polyketide metabolites from the fungus Pestalotiopsis vaccinii endogenous with the mangrove plant Kandelia candel (L.) Druce Tetrahedron 2014 70 (51) 9695-9701. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2014.10.056 | PMID | - |
