Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012439
PROPERTIES
| NPAID | NPA012439 |
|---|---|
| CLUSTER ID | 4672 |
| NODE ID | 28 |
| NAME | Akotriol |
| FORMULA | C15H26O3 |
| MOLECULAR WEIGHT (Da) | 254.3700 |
| ACCURATE MASS (Da) | 254.1882 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | cubensis |
| InChIKey | VGJWMAWBVUWZGM-QIRZIZBZSA-N |
| InChI | InChI=1S/C15H26O3/c1-13(2)7-14(8-16)6-11-12(13)10(14)4-3-5-15(11,18)9-17/h10-12,16-18H,3-9H2,1-2H3/t10-,11-,12+,14-,15-/m0/s1 |
| SMILES | CC1(C[C@@]2(C[C@H]3[C@H]1[C@@H]2CCC[C@@]3(CO)O)CO)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fan, Nai-Wen; Chang, Hsun-Shuo; Cheng, Ming-Jen; Hsieh, Sung-Yuan; Liu, Ta-Wei; Yuan, Gwo-Fang; Chen, Ih-Sheng Secondary metabolites from the endophytic fungus Xylaria cubensis Helvetica Chimica Acta 2014 97 (12) 1689-1699. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.201400091 | PMID | - |
