Mol:LBF18203EO02

Revision as of 01:12, 25 October 2010 by Editor (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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

22 22  0  0  0  0  0  0  0  0999 V2000 
   4.7447   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4593   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1738   -0.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4593    0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0300   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3156   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6011   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8866   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1746   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4626   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2494   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0744   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7888   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5008   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2128   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9248   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6368   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4618   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1763   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8882   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2128    0.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8882   -0.2055    0.0000 C   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  2  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  2  0 
18 19  1  0 
19 20  1  0 
15 21  1  0 
14 21  1  0 
 3 22  1  0 

S SKP 6 ID LBF18203EO02 FORMULA C19H32O3 EXACTMASS 308.23514489 AVERAGEMASS 308.45558 SMILES C(C(CC=CCCCCCCCC(=O)OC)1)(CC=CCC)O1 AUTODRAW FALSE M END