Mol:LBF20207PG49

(Redirected from Mol:LBF20307PG35)


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

25 26  0  0  0  0  0  0  0  0999 V2000 
  -0.6803    0.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3948    1.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1377    0.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1377    0.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9251   -0.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4116    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9251    1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3142   -0.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5998   -0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1147   -0.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1476    0.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8643    1.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5789    0.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2931    1.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0075    0.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7219    1.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0075    0.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8290   -0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5435   -0.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2578   -0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9696   -0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6816   -0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1147   -1.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7219    0.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7219    0.0092    0.0000 O   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 
10 23  1  6 
 7 24  1  6 
 5 25  1  6 
24 25  1  0 

S SKP 6 ID LBF20207PG49 FORMULA C20H32O5 EXACTMASS 352.224974134 AVERAGEMASS 352.46508 SMILES C(CC[C@H](O)C=C[C@@H]([C@H]21)[C@@H](CC=CCCCC(O)=O)[C@@H](OO2)C1)CC AUTODRAW FALSE M END