Mol:LBF20406CV09

Copyright: ARM project http://www.metabolome.jp/
36 36  0  0  0  0  0  0  0  0999 V2000 
  -1.9301    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6421    0.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3827    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3827   -0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1674   -0.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6523   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1674    0.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5824   -1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1051    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8679   -0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0429   -0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3285   -1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3835   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0955   -1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8075   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5195   -1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4223    1.3032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5962   -1.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0129   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2160   -1.7282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2264   -2.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3906    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3906    1.5011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3238    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0383    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7528    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4672    0.6761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1817    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3238    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0383    1.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3238    2.7386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2305   -0.7924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7528   -0.3488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9413   -1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6523   -0.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9413   -2.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  2  2  0 
 3  4  1  0 
 4  5  1  0 
 5  6  2  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  0 
 1  9  2  0 
 8 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
 7 17  2  0 
 4 18  1  1 
18 19  1  0 
19 20  2  0 
19 21  1  0 
 9 22  1  0 
22 23  1  6 
22 24  1  0 
24 25  1  0 
25 26  1  0 
26 27  1  0 
27 28  1  0 
23 29  1  0 
29 30  1  0 
29 31  2  0 
16 32  1  0 
26 33  2  0 
32 34  1  0 
34 35  1  0 
34 36  2  0
S SKP 6 ID LBF20406CV09 FORMULA C27H36O9 EXACTMASS 504.23593274999996 AVERAGEMASS 504.56934 SMILES C(C[C@](OC(C)=O)(C=1)C(=CC=C[C@@H](CCC(=O)OC)OC(C)=O)C(=O)C1)=CCCCCCOC(C)=O AUTODRAW FALSE M END
Mol:LBF20406CV09

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