Mol:LBF18303HP06

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LBF18303HP06.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 24  0  0  1  0  0  0  0  0999 V2000 
   -3.3697    1.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0787    1.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5549    1.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7444    1.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0075    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4829    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9576    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3697    0.3569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3697    1.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9576    2.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5124    1.0708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.5124    0.2465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2262   -0.1656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9492    1.0708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.9492    1.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6631    2.3072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2199    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6320    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2199   -0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6320   -1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2199   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6320   -2.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5549    1.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7444    1.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4829    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 11  5  1  4  0  0  0 
 25 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
  4 14  1  0  0  0  0 
 14  5  1  4  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
  6 17  1  0  0  0  0 
  7 22  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  3 23  2  0  0  0  0 
  4 24  2  0  0  0  0 
  6 25  2  0  0  0  0 
S  SKP  5 
ID	LBF18303HP06 
FORMULA	C19H32O6 
EXACTMASS	356.219888756 
AVERAGEMASS	356.45378 
SMILES	CCC=CC=CC(OO)CC(OO)C=CCCCCCCC(=O)OC 
M  END
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