Mol:LBF15306CV01

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LBF15306CV01.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 21  0  0  0  0  0  0  0  0999 V2000 
    6.6359   -1.3007    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.3269   -2.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1359   -2.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9449   -2.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6359   -1.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3758   -2.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6848   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4769   -0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5258    0.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3179    1.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3669    1.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1590    2.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2079    2.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1679   -3.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5019    0.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5019    1.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1359   -3.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6359   -0.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2168   -3.8479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3679   -0.3007    0.0000 O   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 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  1  5  1  0  0  0  0 
  2  6  2  0  0  0  0 
  1  7  1  6  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  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 
  3 18  2  0  0  0  0 
  1 19  1  1  0  0  0 
  6 15  1  0  0  0  0 
 15 20  2  0  0  0  0 
 19 16  1  0  0  0  0 
 16 21  2  0  0  0  0 
 16 17  1  0  0  0  0 
S  SKP  5 
ID	LBF15306CV01 
FORMULA	C17H22O4 
EXACTMASS	290.151809192 
AVERAGEMASS	290.35418 
SMILES	CCCCCC=CC[C@](OC(C)=O)(C=1)C(=CC=O)C(=O)C1 
M  END
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