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 |