Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002709
PROPERTIES
| NPAID | NPA002709 |
|---|---|
| CLUSTER ID | 1588 |
| NODE ID | 1303 |
| NAME | 3-Octanol |
| FORMULA | C8H18O |
| MOLECULAR WEIGHT (Da) | 130.2310 |
| ACCURATE MASS (Da) | 130.1358 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | flavus |
| InChIKey | NMRPBPVERJPACX-MRVPVSSYSA-N |
| InChI | InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1 |
| SMILES | CCCCC[C@@H](CC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kamiński, E; Libbey, L m; Stawicki, S; Wasowicz, E Identification of the predominant volatile compounds produced by Aspergillus flavus Applied Microbiology 1972 24 (5) 721-726. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541176 | PMID | 4629700 |
