Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014668
PROPERTIES
| NPAID | NPA014668 |
|---|---|
| CLUSTER ID | 3366 |
| NODE ID | 2546 |
| NAME | Neonectriolide B |
| FORMULA | C24H24O8 |
| MOLECULAR WEIGHT (Da) | 440.4480 |
| ACCURATE MASS (Da) | 440.1471 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Neonectria |
| ORIGIN SPECIES | sp. |
| InChIKey | ZALCZOUYJXZXGH-GJVQXUEASA-N |
| InChI | InChI=1S/C24H24O8/c1-10-6-14(25)19-21-18(10)15(28-3)8-16-20(21)22(30-23(19)27)13-7-11(2)31-24(13,32-16)9-12-4-5-17(26)29-12/h6,8,11-13,22,25H,4-5,7,9H2,1-3H3/t11-,12-,13+,22-,24-/m1/s1 |
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C4=C5C(=C(C=C4O[C@]2(O1)C[C@H]6CCC(=O)O6)OC)C(=CC(=C5C(=O)O3)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ren, Jinwei; Niu, Shubing; Li, Li; Geng, Zhufeng; Liu, Xingzhong; Che, Yongsheng Identification of Oxaphenalenone Ketals from the Ascomycete Fungus Neonectria sp Journal of Natural Products 2015 78 (6) 1316-1321. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.5b00159 | PMID | 25978132 |
