Mol:LBF182nnXX02

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

20 20  0  0  0  0  0  0  0  0999 V2000 
   0.5758    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1362    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8482    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5602    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2722    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9842    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6962    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4081    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1928    0.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.6777   -0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1928   -0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4081   -0.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4008    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1153    0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8272    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5392    0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2512    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9632    0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9632   -0.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.6777    0.7455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  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  2  0 
12  8  1  0 
 1 13  2  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  2  0 
18 20  1  0

S SKP 6 ID LBF182nnXX02 FORMULA C18H30O2 EXACTMASS 278.224580204 AVERAGEMASS 278.4296 SMILES OC(=O)CCCCC=CCCCCCCC(C1)C=CC1 AUTODRAW FALSE M END

Mol:LBF182nnXX02

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