Mol:LBF18107PG01


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

24 24  0  0  0  0  0  0  0  0999 V2000 
   2.0443    0.5769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3323    0.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6203    0.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0917    0.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8037    0.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5157    0.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2563    0.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0409    0.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5259   -0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0409   -0.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2563   -0.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3323    1.8101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8114   -0.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5259   -0.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0969   -0.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3849   -0.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6729   -0.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0391   -0.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7511   -0.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4526   -0.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8037   -0.1052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2950    1.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2950   -1.4566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0391   -1.8101    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  6  1  0 
 7  6  1  6 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11  7  1  0 
 2 12  2  0 
13 14  1  0 
13 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  2  0 
11 20  1  1 
 5 21  2  0 
 8 22  1  6 
10 23  1  6 
18 24  1  6 

S SKP 6 ID LBF18107PG01 FORMULA C18H30O6 EXACTMASS 342.204238692 AVERAGEMASS 342.42719999999997 SMILES [C@@H]([C@@H](CC(=O)CCC(O)=O)1)(C=C[C@H](O)CCCCC)[C@H](O)C[C@@H]1O AUTODRAW FALSE M END