Mol:LBF20306CV02

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LBF20306CV02.png

 
 
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 23 24  0  0  0  0  0  0  0  0999 V2000 
    6.1791   -0.6472    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.8701   -1.5983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.6791   -2.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4881   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1791   -0.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9190   -1.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5913    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9981    1.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4103    1.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8170    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2292    3.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6360    4.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0482    5.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4549    6.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7111   -2.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601   -3.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5522   -4.1726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.7431   -5.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7213   -5.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2213   -4.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6791   -3.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6386   -4.5794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -6.2430    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  1  1  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 
  3 21  2  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 
  6 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 22  1  1  0  0  0 
 22 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 17 20  1  0  0  0  0 
 18 23  2  0  0  0  0 
S  SKP  5 
ID	LBF20306CV02 
FORMULA	C20H28O3 
EXACTMASS	316.203844762 
AVERAGEMASS	316.43452 
SMILES	C(CC=CC[C@@H]([C@@H]1CC=C[C@@H](C2)OC(=O)C2)C=CC(=O)1)CCC 
M  END
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