Mol:LBF18206HP02


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

22 21  0  0  0  0  0  0  0  0999 V2000 
   5.1031   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8178   -0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5323   -0.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8178    0.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3885   -0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6740   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9596   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2451   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5331   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8211   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0039   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7184   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4303   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1423   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9673   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6818   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3963   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1083   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8203   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5323   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7184    0.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0039    0.8236    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  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  2  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
12 21  1  0 
21 22  1  0 

S SKP 6 ID LBF18206HP02 FORMULA C18H32O4 EXACTMASS 312.23005951199997 AVERAGEMASS 312.44428 SMILES CCCCCC=CCC(OO)C=CCCCCCCC(O)=O AUTODRAW FALSE M END