Mol:LBF20308PG01


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

24 24  0  0  0  0  0  0  0  0999 V2000 
  -0.8210    0.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5355    1.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3073    0.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3073   -0.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0947   -0.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5810    0.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0947    1.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4756   -0.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7611   -0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0468   -0.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0066    0.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7235    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4380    0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1523    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8668    0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5810    1.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8668    0.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6676   -0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3821   -0.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0468   -1.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0966   -0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8111   -0.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5255   -0.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3497   -1.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  2  1  6 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  2  0 
 7  3  1  0 
 4  8  2  0 
 8  9  1  0 
 9 10  1  0 
 1 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
15 17  2  0 
10 18  1  0 
18 19  1  0 
10 20  1  6 
19 21  1  0 
21 22  1  0 
22 23  1  0 
 5 24  2  0 

S SKP 6 ID LBF20308PG01 FORMULA C20H30O4 EXACTMASS 334.21440944799997 AVERAGEMASS 334.4498 SMILES C(CC[C@@H](O)CC=C(C(=O)1)[C@@H](CC=CCCCC(O)=O)C=C1)CC AUTODRAW FALSE M END