Mol:LBF18204SC01

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

20 19  0  0  0  0  0  0  0  0999 V2000 
   5.1019   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8166   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5310   -0.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8166    0.6202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3873   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6728   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9583   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2439   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5319   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8199   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1079   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6041   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3161   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1411   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3926   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1070   -0.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8190   -0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5310   -0.6202    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 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  1  0

S SKP 6 ID LBF18204SC01 FORMULA C18H32O2 EXACTMASS 280.240230268 AVERAGEMASS 280.44548000000003 SMILES CCCC=CCC=CCCCCCCCCCC(O)=O AUTODRAW FALSE M END

Mol:LBF18204SC01

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