Mol:LBF18207HO04


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

22 21  0  0  0  0  0  0  0  0999 V2000 
   5.1019   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8166    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5310   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8166    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3873    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6728   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9583    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2439   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5319    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8199   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1079    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7171    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316   -0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2566   -0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9711    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6830   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3950    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1070   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8190    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5310   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9711    1.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8199   -1.0298    0.0000 O   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  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
15 21  1  0 
10 22  1  0 

S SKP 6 ID LBF18207HO04 FORMULA C18H32O4 EXACTMASS 312.23005951199997 AVERAGEMASS 312.44428 SMILES CCCCCC(O)C=CC=CC(O)CCCCCCC(O)=O AUTODRAW FALSE M END