Mol:LBF20307PG22

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LBF20307PG22.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 24  0  0  0  0  0  0  0  0999 V2000 
    3.5433    1.2050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5092    1.4638    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5615    2.4625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.6279    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9986    2.0437    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8362    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4751    1.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1822    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4410   -0.4680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8362   -1.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5773   -0.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4410   -0.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9410   -1.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9410   -1.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4410   -2.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4410   -2.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5433   -2.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5092   -2.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4751   -2.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.0960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4002    3.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1822   -1.4340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9751   -3.0071    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  1  0  0  0  0 
  5  1  1  0  0  0  0 
  3 21  1  1  0  0  0 
  1  6  1  1  0  0  0 
  2  7  1  6  0  0  0 
  7  8  2  0  0  0  0 
  9  8  1  0  0  0  0 
  5 20  1  1  0  0  0 
 10 11  2  0  0  0  0 
 11  6  1  0  0  0  0 
  9 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 
 10 17  1  0  0  0  0 
  9 22  1  6  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 22  1  0  0  0  0 
 19 23  2  0  0  0  0 
S  SKP  5 
ID	LBF20307PG22 
FORMULA	C19H30O4 
EXACTMASS	322.21440944799997 
AVERAGEMASS	322.4391 
SMILES	[C@@H]([C@@H]21)(CC=CCCC(=O)O[C@@H](CCCCC)C=C2)[C@@H](O)C[C@H]1O 
M  END
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