Mol:LBF23000BC01

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

26 25  0  0  0  0  0  0  0  0999 V2000 
   2.1360    0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8506    0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5651    0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4213    0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7069    0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0051    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2771    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9891    0.4140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2771    1.6472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7171    0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4291    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1411    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8531    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5651    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2771    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9891    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9891   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2746   -0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5601   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8456   -0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1312   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4167   -0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7022   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0098   -0.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7217   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0098   -1.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 1  4  1  0 
 4  5  1  0 
 5  6  1  0 
 3  7  1  0 
 7  8  1  0 
 7  9  2  0 
 6 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 
22 23  1  0 
23 24  1  0 
24 25  1  0 
24 26  1  0 

S SKP 6 ID LBF23000BC01 FORMULA C24H48O2 EXACTMASS 368.36543078 AVERAGEMASS 368.63672 SMILES C(CCCCC(O)=O)CCCCCCCCCCCCCCCC(C)C AUTODRAW FALSE M END