Mol:LBF20000HO04


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   2.1263    0.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8410    0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5554    0.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8410    1.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4117    0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6972    0.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0148    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8398    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5543    0.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2687    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0937    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5812   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0651   -0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2401   -0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5257   -0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8112   -0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0138   -0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7283   -0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4428   -0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1572   -0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8692   -0.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5812   -0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4776   -1.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8276   -1.5851    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  1  0 
12 13  1  0 
13 14  1  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 
20 21  1  0 
21 22  1  0 
13 23  1  0 
14 24  1  0 

S SKP 6 ID LBF20000HO04 FORMULA C20H40O4 EXACTMASS 344.29265976799996 AVERAGEMASS 344.5292 SMILES C(CCCCC(O)C(O)CCCCCCCCCC(O)=O)CCC AUTODRAW FALSE M END