Mol:LBF20207PG37


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

24 25  0  0  0  0  0  0  0  0999 V2000 
  -0.4369    0.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1489    1.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8609    0.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6455    0.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1305    0.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6455   -0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8609   -0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1464   -0.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4320   -0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2800   -0.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9920   -0.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3881    0.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1025    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9275    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8170   -0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3334    0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1600   -0.8573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2800   -1.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9920   -1.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7065   -1.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4185   -1.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1305   -1.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9005    1.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8996   -1.1470    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 
 7  8  1  1 
 8  9  2  0 
 9 10  1  0 
10 11  1  1 
 1 12  2  0 
12 13  1  0 
13 14  1  0 
11 15  1  0 
14 16  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 
 4 23  1  6 
 6 24  1  6 

S SKP 6 ID LBF20207PG37 FORMULA C19H30O4 EXACTMASS 322.21440944799997 AVERAGEMASS 322.4391 SMILES [C@@H]([C@@H]21)(CC=CCCC(=O)O[C@@H](CCCCC)C=C2)[C@@H](O)C[C@H]1O AUTODRAW FALSE M END