Mol:LBF19206SC01

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

21 20  0  0  0  0  0  0  0  0999 V2000 
   5.4591   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1738   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8882   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1738    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.7445   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0300   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3156   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6011   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8891   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1771   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4651   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2469   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0719   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7863   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4983   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3233   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0378   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7498   -0.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4618   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1738   -0.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8882   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  1  0 
 5  6  1  0 
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10 11  1  0 
11 12  1  0 
12 13  2  0 
13 14  1  0 
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15 16  2  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 

S SKP 6 ID LBF19206SC01 FORMULA C19H34O2 EXACTMASS 294.255880332 AVERAGEMASS 294.47206000000006 SMILES CCCCCC=CCC=CCCCCCCCCC(O)=O AUTODRAW FALSE M END