Mol:LBGTGccc:10000SC01:10000SC01:18206SC05

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Image:LBGTGccc:10000SC01:10000SC01:18206SC05.png 

 
 
 
 49 48  0  0  0  0  0  0  0  0999 V2000 
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   -2.5551   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8408   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1267   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4126   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.4117   -2.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.4480    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7339    0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -5.4480   -0.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3017   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.1267   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8408   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5551   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3801   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0942   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8085   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5226   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2368   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9510   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  1  3  1  0 
  3  4  1  0 
  4  5  1  0 
  5  6  1  0 
  6  8  1  0 
  4  7  1  0 
  2  9  1  0 
  9 10  1  0 
  9 11  2  0 
  8 12  1  0 
 12 13  1  0 
 13 14  1  0 
 14 15  1  0 
 15 16  1  0 
 16 17  1  0 
 17 18  1  0 
 18 19  1  0 
 12 20  2  0 
  7 21  1  0 
 21 22  1  0 
 22 23  1  0 
 23 24  1  0 
 24 25  1  0 
 25 26  1  0 
 26 27  1  0 
 27 28  1  0 
 21 29  2  0 
 19 30  1  0 
 10 31  1  0 
 31 32  1  0 
 32 33  1  0 
 33 34  1  0 
 34 35  1  0 
 35 36  1  0 
 28 37  1  0 
 36 38  1  0 
 38 39  1  0 
 37 40  1  0 
 30 41  2  0 
 41 42  1  0 
 42 43  1  0 
 43 44  2  0 
 44 45  1  0 
 45 46  1  0 
 46 47  1  0 
 47 48  1  0 
 48 49  1  0 
S  SKP  5 
ID	LBGTGccc:10000SC01:10000SC01:18206SC05:01 
FORMULA	C43H78O6 
EXACTMASS	690.579840228 
AVERAGEMASS	691.07582 
SMILES	C(C(OCCC(OC(=O)CCCCCCCCC)CCOC(=O)CCCCCCCCC)=O)CCCCCCC=CCC=CCCCCC 
M  END
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