Mol:LBF20207PG36


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

24 25  0  0  0  0  0  0  0  0999 V2000 
  -1.5344    0.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3190    0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8039    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3190   -0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5344   -0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8199   -0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1055   -0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6065   -0.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3185   -0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0305   -0.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7425   -0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4545   -0.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1665   -0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3465    1.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8346   -1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5949    1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0074    0.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0074   -0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8804    1.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0554    1.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6359   -0.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1665   -1.6209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8700    1.2392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6065   -1.6221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  1  1  0 
 5  6  1  1 
 6  7  2  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
 1 14  1  6 
 4 15  1  6 
16 17  1  0 
17 18  1  0 
16 19  1  0 
19 20  2  0 
18 21  1  0 
14 20  1  0 
15 21  1  0 
21 22  2  0 
 2 23  1  6 
 8 24  1  6 

S SKP 6 ID LBF20207PG36 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC[C@H](O)C=C[C@@H]([C@H]12)[C@H]([C@@H](O)C2)CC=CCCCC(=O)O1)CC AUTODRAW FALSE M END