Mol:LBF13000BC02

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LBF13000BC02.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 16  0  0  1  0  0  0  0  0999 V2000 
   -2.7307    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0596    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0596    1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1485    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1485    1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2347    1.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8222    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2347    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8222   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2347   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8222   -1.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2347   -2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9254    1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3182    1.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7307    2.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7307    1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4932    1.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  4  5  1  4  0  0  0 
  2  6  1  0  0  0  0 
  4 12  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 
  4 13  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 13 17  1  0  0  0  0 
S  SKP  5 
ID	LBF13000BC02 
FORMULA	C15H30O2 
EXACTMASS	242.22458020399998 
AVERAGEMASS	242.3975 
SMILES	CC(C)CCCCCCCC(C)CCC(O)=O 
M  END
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