Mol:LBF18108HO02

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LBF18108HO02.png

 
 
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 25 24  0  0  1  0  0  0  0  0999 V2000 
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   -2.1088    1.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.4736    1.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1030    1.9132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.7795   -2.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3670   -3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1586    1.8797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.4441    3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6715    1.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2589    0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4340    0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0215   -0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8701    1.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2826    1.8841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2826    0.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2055    1.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  3 25  1  0  0  0  0 
  4  5  1  0  0  0  0 
  2  6  1  4  0  0  0 
  5  7  1  4  0  0  0 
  5  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 
 12 13  1  0  0  0  0 
 14 13  1  4  0  0  0 
  3 15  1  4  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  2 21  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 
 14 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
  4 25  2  0  0  0  0 
S  SKP  5 
ID	LBF18108HO02 
FORMULA	C20H38O5 
EXACTMASS	358.271924326 
AVERAGEMASS	358.51272 
SMILES	OC(CCCCCCCC(O)=O)C=CC(C(O)CCCCC)OCC 
M  END
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