Mol:LBF12000BC04

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

16 15  0  0  0  0  0  0  0  0999 V2000 
   2.8504   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5651    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2795   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5651    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1358    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4213   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7069    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7196    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1436    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2795   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4214   -1.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316   -1.0298    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  1  0 
12 13  1  0 
13 14  1  0 
 6 15  1  0 
10 16  1  0

S SKP 6 ID LBF12000BC04 FORMULA C14H28O2 EXACTMASS 228.20893013999998 AVERAGEMASS 228.37091999999998 SMILES CCCCC(C)CCCC(C)CCC(O)=O AUTODRAW FALSE M END

Mol:LBF12000BC04

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