Ketcher 07111710472D 1   1.00000     0.00000     0

 20 19  0     0  0            999 V2000
   21.5829   -3.8669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7024   -3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3891   -3.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1909   -3.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3891   -2.6162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8153   -3.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9279   -3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0404   -3.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1530   -3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2657   -3.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3781   -3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4908   -3.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6034   -3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -3.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8285   -3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9409   -3.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0536   -3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1662   -3.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2787   -3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3913   -3.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
  2  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
M  END
> <ID>
CHEBI:137771

> <NAME>
9E-hexadecenyl acetate

> <STAR>
2

> <FORMULA>
C18H34O2

> <MASS>
282.462

> <MONOISOTOPIC_MASS>
282.25588

> <CHARGE>
0

> <SMILES>
O(CCCCCCCC/C=C/CCCCCC)C(C)=O

> <INCHI>
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h8-9H,3-7,10-17H2,1-2H3/b9-8+

> <INCHIKEY>
VAKBQCYSUVICLV-CMDGGOBGSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010347

$$$$