Mol:LBF20207PG64

(Redirected from Mol:LBF21207PG13)


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

26 26  0  0  0  0  0  0  0  0999 V2000 
  -1.1926    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9072    0.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6502    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6502   -0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4375   -0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9242    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4375    0.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8266   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1122   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3977   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3648    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3520    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0665    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7809    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4952    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2097    0.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4952   -0.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3167   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0311   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7456   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4573   -0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1694   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6926    1.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6925   -1.3022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3977   -1.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9242    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  2  1  6 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  1 
 8  9  2  0 
 9 10  1  0 
 1 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
15 17  2  0 
10 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
 7 23  2  0 
 5 24  1  6 
10 25  1  1 
16 26  1  0 

S SKP 6 ID LBF20207PG64 FORMULA C21H34O5 EXACTMASS 366.240624198 AVERAGEMASS 366.49166 SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(OC)=O)[C@@H](CC1=O)O)CC AUTODRAW FALSE M END