Mol:LBF18107OX02


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

22 21  0  0  0  0  0  0  0  0999 V2000 
   5.0442   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7588    0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4733   -0.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7588    1.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3295    0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6151   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9006    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1861   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4741    0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7621   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0501    0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6619   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3738    0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1988    0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9133   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6253    0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3373   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0493    0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7613   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4733    0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9133   -1.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6619   -1.0291    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  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
15 21  1  0 
12 22  2  0 

S SKP 6 ID LBF18107OX02 FORMULA C18H32O4 EXACTMASS 312.23005951199997 AVERAGEMASS 312.44428 SMILES CCCCCC(O)C=CC(=O)CCCCCCCCC(O)=O AUTODRAW FALSE M END