Mol:LBF20307TX02

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LBF20307TX02.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 26  0  0  0  0  0  0  0  0999 V2000 
    5.4641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
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    6.3301    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
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    2.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    9.7942    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5263    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3923    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3923    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.2583    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2 21  1  0  0  0  0 
  3 21  1  1  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
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  6  7  2  0  0  0  0 
  8  9  1  0  0  0  0 
  4  9  1  1  0  0  0 
  7 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
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  8 16  2  0  0  0  0 
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 19 20  1  0  0  0  0 
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  5 23  1  1  0  0  0 
  2 24  1  4  0  0  0 
 20 25  1  0  0  0  0 
 20 26  2  0  0  0  0 
S  SKP  5 
ID	LBF20307TX02 
FORMULA	C20H34O6 
EXACTMASS	370.23553882 
AVERAGEMASS	370.48036 
SMILES	C(CC[C@H](O)C=C[C@@H](O1)[C@@H]([C@@H](CC1O)O)CC=CCCCC(O)=O)CC 
M  END
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