Mol:LBF20406CV05

Copyright: ARM project http://www.metabolome.jp/
32 32  0  0  0  0  0  0  0  0999 V2000 
  -1.1948    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9068    0.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6474    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6474   -0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4321   -0.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9170   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4321    0.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8471   -1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3698    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1326   -0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3076   -0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4068   -1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1188   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8308   -1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5428   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2548   -1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6870    1.3032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8609   -1.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2776   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4807   -1.7282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4911   -2.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3447    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3447    1.5011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0591    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7736    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4881    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2025    0.6761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9170    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4881   -0.4149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0591    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7736    1.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0591    2.7386    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 
26 29  2  0 
23 30  1  0 
30 31  1  0 
30 32  2  0
S SKP 6 ID LBF20406CV05 FORMULA C25H34O7 EXACTMASS 446.230453442 AVERAGEMASS 446.53326000000004 SMILES O(C(C)=O)[C@@](C1=CC=C[C@@H](CCC(OC)=O)OC(C)=O)(CC=CCCCCC)C=CC1=O AUTODRAW FALSE M END
Mol:LBF20406CV05

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