Mol:LBF18303HP01

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

22 21  0  0  0  0  0  0  0  0999 V2000 
   5.1031   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8178   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5323   -0.8221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8178    0.4154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3885   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6740   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9596   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2451   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5331   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8211   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1091   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6029   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3149   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0268   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8518   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5663   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2808   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1058   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8203   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5323   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1091    0.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8211    0.8221    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  1  0 
10 11  1  0 
11 12  1  0 
12 13  2  0 
13 14  1  0 
14 15  2  0 
15 16  1  0 
16 17  1  0 
17 18  2  0 
18 19  1  0 
19 20  1  0 
11 21  1  0 
21 22  1  0 

S SKP 6 ID LBF18303HP01 FORMULA C18H30O4 EXACTMASS 310.21440944799997 AVERAGEMASS 310.4284 SMILES CCC=CCC=CC=CC(OO)CCCCCCCC(O)=O AUTODRAW FALSE M END