Mol:LBF20406HO19


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

23 22  0  0  0  0  0  0  0  0999 V2000 
   1.7703   -0.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4850    0.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1994   -0.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4850    1.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0557    0.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3412   -0.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3708    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1958    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9103   -0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6247    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4497    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9372   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4211   -1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5961   -1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8817   -0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1672   -1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3422   -1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3723   -0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0868   -1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7988   -0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5107   -1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2227   -0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9372   -1.2286    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  2  0 
 8  9  1  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  0 

S SKP 6 ID LBF20406HO19 FORMULA C20H32O3 EXACTMASS 320.23514489 AVERAGEMASS 320.46628 SMILES C(CCC=CCC=CCC=CCC=CCCCC(O)=O)CCO AUTODRAW FALSE M END