21159087
  CDK     0910211425

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.0790   -1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 21  1  0  0  0  0 
  2 21  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 16  2  0  0  0  0 
 12 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 18  1  0  0  0  0 
 15 20  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 19  2  0  0  0  0 
 21 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:180348

> <NAME>
9Z,12Z-Octadecadienyl acetate

> <STAR>
2

> <IUPAC_NAME>
[(9Z,12Z)-octadeca-9,12-dienyl] acetate

> <FORMULA>
C20H36O2

> <MASS>
308.506

> <MONOISOTOPIC_MASS>
308.27153

> <CHARGE>
0

> <SMILES>
O(CCCCCCCC/C=C\C/C=C\CCCCC)C(=O)C

> <INCHI>
InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h7-8,10-11H,3-6,9,12-19H2,1-2H3/b8-7-,11-10-

> <INCHIKEY>
KFXARGMQYWECBV-NQLNTKRDSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010394

$$$$