Mol:LBF20407HP01

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

26 25  0  0  0  0  0  0  0  0999 V2000 
   2.1263    0.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8410    0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5554    0.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8410    1.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4117    0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6972    0.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0148    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8398    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5543    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2687    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0937    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5812   -0.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0651   -0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2401   -0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5257   -0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8112   -0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0138   -0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7283   -0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4428   -0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1572   -0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8692   -0.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5812   -0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0148    1.6396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6997    2.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0138   -1.6396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7283   -2.0521    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  2  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  1  0 
20 21  1  0 
21 22  1  0 
 7 23  1  0 
23 24  1  0 
17 25  1  0 
25 26  1  0 

S SKP 6 ID LBF20407HP01 FORMULA C20H32O6 EXACTMASS 368.219888756 AVERAGEMASS 368.46448 SMILES C(CCC(OO)C=CC=CCC=CC=CC(OO)CCCC(O)=O)CC AUTODRAW FALSE M END