Mol:LBF18403SC02

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

20 19  0  0  0  0  0  0  0  0999 V2000 
   5.2187   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.9333   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.6478   -0.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.9333    0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.5040   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7896   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9646   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2501   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5356   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8236   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0014   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7158   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4278   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1398   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9648   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6793   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3938   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.2188   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.9333   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.6478   -0.6195    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  2  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  2  0 
18 19  1  0 
19 20  1  0

S SKP 6 ID LBF18403SC02 FORMULA C18H28O2 EXACTMASS 276.20893014 AVERAGEMASS 276.41372 SMILES CCC=CCC=CCCC=CCCC=CCCC(O)=O AUTODRAW FALSE M END

Mol:LBF18403SC02

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