Mol:LBF26000BC01


Copyright: ARM project http://www.metabolome.jp/

29 28  0  0  0  0  0  0  0  0999 V2000 
   2.1360    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8506    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5651    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4213    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7069    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0051    0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2771    0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9891    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2771    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7171    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4291    0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1411    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8531    0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5651    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2771    0.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9891    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9891   -0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2746   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5601   -0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8456   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1312   -0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4167   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7022   -0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0098   -0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7217   -0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4337   -0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1457   -0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8577   -0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4337   -1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 1  4  1  0 
 4  5  1  0 
 5  6  1  0 
 3  7  1  0 
 7  8  1  0 
 7  9  2  0 
 6 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
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18 19  1  0 
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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 
26 29  1  0 

S SKP 6 ID LBF26000BC01 FORMULA C27H54O2 EXACTMASS 410.412380972 AVERAGEMASS 410.71646000000004 SMILES OC(=O)CCCCCCCCCCCCCCCCCCCCCCC(CC)C AUTODRAW FALSE M END