Mol:LBF18403SC04

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

20 19  0  0  0  0  0  0  0  0999 V2000 
   5.2174   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.9320   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.6465   -0.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.9320    0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.5027   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7883   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0738   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3593   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6474   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9354   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2234   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6016   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3161   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1411   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6806   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3950   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.2200   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.9345   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.6465   -0.6180    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  2  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

S SKP 6 ID LBF18403SC04 FORMULA C18H28O2 EXACTMASS 276.20893014 AVERAGEMASS 276.41372 SMILES CCC=CC=CC=CC=CCCCCCCCC(O)=O AUTODRAW FALSE M END

Mol:LBF18403SC04

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