56936067
  CDK     0425242200

 18 17  0  0  0  0  0  0  0  0999 V2000
    5.9370    0.1568    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
    7.3659    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.1568    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
    6.6515    0.5693    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
    7.3659   -0.6683    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
    2.3645    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.0808    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
    8.0804   -1.0808    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
    8.7949    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239    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  6  1  0  0  0  0 
  1  7  2  0  0  0  0 
  2 12  1  0  0  0  0 
  3  6  2  0  0  0  0 
  3  8  1  0  0  0  0 
  3 11  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  9  2  0  0  0  0 
  4 13  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  8 14  1  0  0  0  0 
 10 15  1  0  0  0  0 
 11 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:230567

> <NAME>
5,7-diethyl-9-methyl-3e,5e,7e,9e-tridecatetraene

> <STAR>
2

> <IUPAC_NAME>
(3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene

> <FORMULA>
C18H30

> <MASS>
246.438

> <MONOISOTOPIC_MASS>
246.23475

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H30/c1-6-10-12-16(5)14-18(9-4)15-17(8-3)13-11-7-2/h11-15H,6-10H2,1-5H3/b13-11+,16-12+,17-15+,18-14+

> <INCHIKEY>
YPHOOIUBOFURLM-FHIIZRLJSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA11000057

$$$$