Mol:EEL0145

Revision as of 00:22, 12 May 2012 by Editor (talk | contribs) (New page: Copyright: ARM project http://www.metabolome.jp/ 23 22 0 0 0 0 0 0 0 0999 V2000 -5.7917 -0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1165 0.9833 ...)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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

23 22  0  0  0  0  0  0  0  0999 V2000 
  -5.7917   -0.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1165    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3610    1.5447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6372   -0.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1310    0.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4938    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7792    1.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0652    1.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3509    1.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6364    1.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9222    1.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2077    1.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5065    1.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.3328   -0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0642   -1.5447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2210    1.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0460    1.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7605    1.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4750    1.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1894    1.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9039    1.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.6184    1.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.3328    1.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 1  5  1  0 
 1  4  1  0 
 6  3  1  0 
 7  6  1  0 
 8  7  1  0 
 9  8  1  0 
10  9  1  0 
11 10  1  0 
12 11  1  0 
13 12  1  0 
 1 14  1  0 
14 15  1  0 
13 16  1  0 
16 17  2  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 

S SKP 6 AUTODRAW FALSE ID EEL0145 FORMULA C19H38O3 EXACTMASS 314.28209508199996 AVERAGEMASS 314.50322 SMILES CCCCCCC=CCCCCCCCCOCC([H])(O)CO M END