Mol:LBF18303HP02


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

22 21  0  0  0  0  0  0  0  0999 V2000 
   5.1596   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8743   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5888   -0.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8743    0.4168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.4450   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7305   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0161   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3016   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5896   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8776   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1656   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6594   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3738   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0858   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7978   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6228   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3373   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1623   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8768   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5888   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0858    0.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3738    0.8221    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  1  0 
15 16  2  0 
16 17  1  0 
17 18  2  0 
18 19  1  0 
19 20  1  0 
14 21  1  0 
21 22  1  0 

S SKP 6 ID LBF18303HP02 FORMULA C18H30O4 EXACTMASS 310.21440944799997 AVERAGEMASS 310.4284 SMILES CCC=CC=CC(OO)CC=CCCCCCCCC(O)=O AUTODRAW FALSE M END