Mol:LBF20406HO08


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   2.8554    0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5701    0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2845    0.0015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5701    1.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1408    0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4263    0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7143    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0002   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7122    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4266   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1411    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5700    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2845   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2845   -0.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5700   -1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7450   -1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0306   -0.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3161   -1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6041   -0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1079   -1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8199   -0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7143    1.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0002   -0.7469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  2  0 
10 11  1  0 
11 12  2  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 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 
 7 23  1  1 
 8 24  1  1 

S SKP 6 ID LBF20406HO08 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC=CCC=CC=CC=C[C@H](O)[C@@H](O)CCCC(O)=O)CCC AUTODRAW FALSE M END