Mol:LBF20406LT06


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   3.2040    0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9186    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6331    0.4130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9186   -0.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4893    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7749    0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0629    0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3509    0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3611    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0731    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7851    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4971    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2091    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9211    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6331    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6331   -0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9186   -1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2041   -0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4897   -1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7752   -0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0607   -1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3462   -0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9210    1.2353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0628   -0.8202    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  2  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  2  0 
13 14  1  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 
14 23  1  1 
 7 24  1  6 

S SKP 6 ID LBF20406LT06 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC=CC[C@H](C=CC=CC=C[C@H](CCCC(O)=O)O)O)CCC AUTODRAW FALSE M END