Mol:LBF18401SC01


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

20 19  0  0  0  0  0  0  0  0999 V2000 
   5.2162   -0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.9308   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.6453   -0.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.9308    0.6209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.5015   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7870   -0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0726   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3581   -0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6461   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9341   -0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2221   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6029   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3173   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0293   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8543   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5688   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2808   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1058   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8203   -0.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.6453   -0.6209    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  2  0 

S SKP 6 ID LBF18401SC01 FORMULA C18H28O2 EXACTMASS 276.20893014 AVERAGEMASS 276.41372 SMILES C=CC=CCC=CCC=CCCCCCCCC(O)=O AUTODRAW FALSE M END