Mol:LBF24000BC01

Revision as of 07:46, 1 February 2011 by Editor (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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

27 26  0  0  0  0  0  0  0  0999 V2000 
   2.1433    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8603    0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5773    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4262    0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7093    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0051    0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2918    0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.0061    0.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2918    1.2398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7196    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4340    0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1484    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8629    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5773    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2918    0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0061    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0061   -0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2893   -1.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5723   -0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8553   -1.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1385   -0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4216   -1.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7046   -0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0098   -1.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7242   -0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4387   -1.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7242   -0.2292    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 
25 26  1  0 
25 27  1  0 

S SKP 6 ID LBF24000BC01 FORMULA C25H50O2 EXACTMASS 382.381080844 AVERAGEMASS 382.6633 SMILES C(CCCCC(O)=O)CCCCCCCCCCCCCCCCC(C)C AUTODRAW FALSE M END