Mol:LBF18304HP01


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

22 21  0  0  0  0  0  0  0  0999 V2000 
   5.1609   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8755   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5900   -0.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8755    0.4168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.4462   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7318   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0173   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3028   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5909   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8789   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1669   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6581   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3726   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0846   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9096   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6241   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4491   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1635   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8780   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5900   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1635    0.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4491    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  1  0 
11 12  2  0 
12 13  1  0 
13 14  1  0 
14 15  2  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
18 21  1  0 
21 22  1  0 

S SKP 6 ID LBF18304HP01 FORMULA C18H30O4 EXACTMASS 310.21440944799997 AVERAGEMASS 310.4284 SMILES CCC(OO)C=CC=CCC=CCCCCCCCC(O)=O AUTODRAW FALSE M END