Mol:LBF18108EO02

(Redirected from Mol:LBF18108OX01)


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

22 22  0  0  0  0  0  0  0  0999 V2000 
   5.0462   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7609   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4755   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7609    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3313   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6169   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9022   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1878   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4756   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7636   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0514   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6606   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4858   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2005   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9150   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6271   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3391   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0513   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7633   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4755   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9150    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0514    0.6173    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  2  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 
15 21  1  0 
14 21  1  0 
11 22  2  0 

S SKP 6 ID LBF18108EO02 FORMULA C18H30O4 EXACTMASS 310.21440944799997 AVERAGEMASS 310.4284 SMILES C(C(C=CC(=O)CCCCCCCC(O)=O)1)(CCCCC)O1 AUTODRAW FALSE M END