11805103
  CDK     1203211124

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.5080    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  7  2  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:187309

> <NAME>
5-Ethyl-3-methyl-2E,4E,6E-nonatriene

> <STAR>
2

> <IUPAC_NAME>
(2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene

> <FORMULA>
C12H20

> <MASS>
164.292

> <MONOISOTOPIC_MASS>
164.15650

> <CHARGE>
0

> <SMILES>
C(\CC)(=C\C(\C)=C\C)/C=C/CC

> <INCHI>
InChI=1S/C12H20/c1-5-8-9-12(7-3)10-11(4)6-2/h6,8-10H,5,7H2,1-4H3/b9-8+,11-6+,12-10+

> <INCHIKEY>
CCGOFOHHWSKWIK-GOZCNEPISA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA11000051

$$$$