Mol:LBF20406CV08

Copyright: ARM project http://www.metabolome.jp/
32 32  0  0  0  0  0  0  0  0999 V2000 
  -1.5678    0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3084    0.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3084   -0.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0930   -0.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5780   -0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0930    0.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5678    1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8558    1.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5239   -1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8095   -0.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0155   -0.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7300   -1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4420   -0.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1540   -1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8660   -0.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5780   -1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5219   -1.3570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9386   -1.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1521   -2.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1417   -1.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3479    1.3046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1413    1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5731    1.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2876    1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0021    1.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7166    1.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4310    1.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0021    2.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1207    0.7983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5938    0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3082    0.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5938   -0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  2  0 
 2  3  1  0 
 3  4  1  0 
 4  5  2  0 
 5  6  1  0 
 6  2  1  0 
 1  7  1  0 
 7  8  2  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
 3  9  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
 3 17  1  1 
17 18  1  0 
18 19  1  0 
18 20  2  0 
 6 21  2  0 
 8 22  1  0 
22 23  1  0 
23 24  1  0 
24 25  1  0 
25 26  1  0 
26 27  1  0 
25 28  2  0 
22 29  1  1 
29 30  1  0 
30 31  2  0 
30 32  1  0
S SKP 6 ID LBF20406CV08 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:LBF20406CV08

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