Mol:LBF18303SC01

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

20 19  0  0  0  0  0  0  0  0999 V2000 
   5.1596   -0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8743   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5888   -0.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8743    0.6209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.4450   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7305   -0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0161   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3016   -0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5896   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8776   -0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1656   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6594   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3738   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0858   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9108   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6253   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3373   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1623   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8768   -0.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5888   -0.2098    0.0000 C   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  1  0 
17 18  2  0 
18 19  1  0 
19 20  1  0

S SKP 6 ID LBF18303SC01 FORMULA C18H30O2 EXACTMASS 278.224580204 AVERAGEMASS 278.4296 SMILES CCC=CCC=CCC=CCCCCCCCC(O)=O AUTODRAW FALSE M END

Mol:LBF18303SC01

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