Mol:LBF162nnXX01

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LBF162nnXX01.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 18 18  0  0  1  0  0  0  0  0999 V2000 
   -4.3003   -0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0171   -1.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1921   -0.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9666   -0.1898    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.6500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3809    0.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7978   -0.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2148    0.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6319   -0.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0489    0.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5341   -0.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1172    0.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7002   -0.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2831    0.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8661   -0.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5825    0.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3003   -0.2228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5811    1.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  4  3  1  4  0  0  0 
  4  5  1  0  0  0  0 
  1  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 16 18  2  0  0  0  0 
S  SKP  5 
ID	LBF162nnXX01 
FORMULA	C16H28O2 
EXACTMASS	252.20893013999998 
AVERAGEMASS	252.39231999999998 
SMILES	OC(=O)CCCCCCCCCCC(C1)C=CC1 
M  END
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