Mol:LBF20309HO01

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

24 23  0  0  0  0  0  0  0  0999 V2000 
   2.1263    0.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8410    0.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5554    0.3888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8410    1.6263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4117    0.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6972    0.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0148    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8398    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5543    0.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2687    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0937    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5812   -0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0651   -0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2401   -0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5257   -0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8112   -0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0138   -0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7283   -0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4428   -0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1572   -0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8692   -0.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5812   -0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0247   -1.6263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2273   -1.6263    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  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
16 23  1  0 
17 24  1  0 

S SKP 6 ID LBF20309HO01 FORMULA C20H34O4 EXACTMASS 338.24570957599997 AVERAGEMASS 338.48156 SMILES C(CCC(O)C(O)CC=CCC=CCC=CCCCC(O)=O)CC AUTODRAW FALSE M END