Mol:LBF24000HO01

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

27 26  0  0  0  0  0  0  0  0999 V2000 
   2.1360    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8506    0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5651    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4213    0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7069    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0051    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2771    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9891    0.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2771    1.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7171    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4291    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1411    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8531    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5651    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2771    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9891    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9891   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2746   -1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5601   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8456   -1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1312   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4167   -1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7022   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0098   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7217   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4337   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5651   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 1  4  1  0 
 4  5  1  0 
 5  6  1  0 
 3  7  1  0 
 7  8  1  0 
 7  9  2  0 
 6 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  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 
22 23  1  0 
23 24  1  0 
24 25  1  0 
25 26  1  0 
 3 27  1  0 

S SKP 6 ID LBF24000HO01 FORMULA C22H44O3 EXACTMASS 356.329045274 AVERAGEMASS 356.58296 SMILES CCCCCCCCCCCCCCCCCCCCC(O)C(O)=O AUTODRAW FALSE M END