Mol:LBF14000BC07

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LBF14000BC07.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 16  0  0  1  0  0  0  0  0999 V2000 
   -3.9676    2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4699    2.4920    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.4699    1.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5566    2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9676    3.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9676    1.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3510    2.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9400    2.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1540    2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5651    1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1540    1.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5651    0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1540   -0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5651   -1.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1540   -1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5651   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1540   -3.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  4  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  8  1  0  0  0  0 
  7  8  1  0  0  0  0 
  2  9  1  0  0  0  0 
  4 17  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 
S  SKP  5 
ID	LBF14000BC07 
FORMULA	C15H30O2 
EXACTMASS	242.22458020399998 
AVERAGEMASS	242.3975 
SMILES	CCCC(C)CCCCCCCCCC(O)=O 
M  END
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