Mol:LBF20503HP03

(Redirected from Mol:LBF20503HO12)


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   2.0686    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7832    1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4977    0.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7832    1.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3539    1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6395    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0725    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8975    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6120    0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3265    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1515    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6390    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1229   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2979   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5834   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8689   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0439   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6705   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3850   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2100   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9245   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6390   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0439   -1.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6705   -1.8466    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  2  0 
 8  9  1  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  2  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  2  0 
20 21  1  0 
21 22  1  0 
17 23  1  6 
23 24  1  0 

S SKP 6 ID LBF20503HP03 FORMULA C20H30O4 EXACTMASS 334.21440944799997 AVERAGEMASS 334.4498 SMILES C(=CCC(OO)C=CC=CCC=CCC=CCCCC(O)=O)CC AUTODRAW FALSE M END