Mol:LBF20307HP02


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

29 29  0  0  0  0  0  0  0  0999 V2000 
   6.9011   -0.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1866    0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4721   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.7602    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0483   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3363    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6243   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9485    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2897   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5583   -0.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3831   -0.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   7.6156    0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5752    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1866    1.0436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3363    1.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0508    1.4546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2498    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9643   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7893   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5038    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3288    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0432   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0432   -1.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3288   -1.4546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7577    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4722   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1866    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.9011   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.6156    0.1954    0.0000 C   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  7  1  0 
 1 12  1  0 
 9 13  1  0 
 2 14  2  0 
 6 15  1  0 
15 16  1  0 
13 17  2  0 
17 18  1  0 
18 19  2  0 
19 20  1  0 
20 21  2  0 
21 22  1  0 
22 23  1  0 
23 24  1  0 
22 25  1  0 
25 26  1  0 
26 27  1  0 
27 28  1  0 
28 29  1  0 

S SKP 6 ID LBF20107HP01 FORMULA C21H34O8 EXACTMASS 414.225368064 AVERAGEMASS 414.48986 SMILES C(CCC(OO)C=CC=CC=CC(C1)OOC1C(OO)CCCC(OC)=O)CC AUTODRAW FALSE M END