Mol:LBF20207HP01


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   2.1263    0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8410    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5554    0.6084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8410    1.8459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4117    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6972    0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0148    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8398    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5543    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2687    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0937    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5812    0.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0651   -0.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2401   -0.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5257   -0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8112   -0.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0138   -0.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7283   -0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4428   -0.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1572   -0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8692   -0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5812   -0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0138   -1.4348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7258   -1.8459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  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  1  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  2  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
17 23  1  1 
23 24  1  0 

S SKP 6 ID LBF20207HP01 FORMULA C20H36O4 EXACTMASS 340.26135963999997 AVERAGEMASS 340.49744 SMILES C(CCC(OO)C=CC=CCCCCCCCCCC(O)=O)CC AUTODRAW FALSE M END