Marvin  05201316282D          

 18 17  0  0  0  0            999 V2000
   10.4221   -3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8511   -3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1366   -2.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5655   -2.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2801   -3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9945   -2.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7090   -3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4235   -2.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1380   -3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8525   -2.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8525   -2.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5669   -3.3505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7076   -2.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9933   -3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2787   -2.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5644   -3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1366   -2.1131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9945   -2.1131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
  3 17  1  4  0  0  0
  6 18  1  4  0  0  0
M  END
> <ID>
CHEBI:73721

> <NAME>
5,8-tetradecadienal

> <DEFINITION>
A tetradecadienal with double bonds at positions 5 and 8.

> <STAR>
3

> <IUPAC_NAME>
tetradeca-5,8-dienal

> <FORMULA>
C14H24O

> <MASS>
208.33980

> <MONOISOTOPIC_MASS>
208.18272

> <CHARGE>
0

> <SMILES>
[H]C(=O)CCCC([H])=CCC=C([H])CCCCC

> <INCHI>
InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h6-7,9-10,14H,2-5,8,11-13H2,1H3

> <INCHIKEY>
NGKCMQUFXPQZQW-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA06000082

$$$$