13743770
  CDK     1106201723

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.0789    4.6943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    3.4568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    1.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    3.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    3.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092   -3.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947   -2.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    4.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092   -3.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2236   -4.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    4.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2236   -5.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    4.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    4.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  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 
 10 12  1  0  0  0  0 
 11 15  1  0  0  0  0 
 12 14  2  0  0  0  0 
 13 14  1  0  0  0  0 
 13 16  1  0  0  0  0 
 15 18  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:165639

> <NAME>
2Z,13E-Octadecadienyl acetate

> <STAR>
2

> <IUPAC_NAME>
[(2Z,13E)-octadeca-2,13-dienyl] acetate

> <FORMULA>
C20H36O2

> <MASS>
308.506

> <MONOISOTOPIC_MASS>
308.27153

> <CHARGE>
0

> <SMILES>
O(C/C=C\CCCCCCCCC/C=C/CCCC)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/h6-7,17-18H,3-5,8-16,19H2,1-2H3/b7-6+,18-17-

> <INCHIKEY>
NWRSOYAGXTXEMK-NEOCRXKBSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010390

$$$$