Mol:LBF20207TX01

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

25 26  0  0  0  0  0  0  0  0999 V2000 
  -2.3107    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3107    0.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0251   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  -3.0251    1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  -0.6553    0.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1697    0.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8842    1.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5987    0.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3131    1.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  -0.8867   -0.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   0.5373   -0.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   3.7396    1.3334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0276    0.2894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9588   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6658   -0.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3729   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0251    0.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1747   -1.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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 7  8  1  0 
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10 11  1  0 
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12 13  1  0 
 2 14  1  1 
14 15  2  0 
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17 18  1  0 
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13 20  2  0 
18 21  1  0 
21 22  1  0 
22 23  1  0 
 6 24  1  6 
 4 24  1  6 
16 25  1  6 

S SKP 6 ID LBF20307TX01 FORMULA C20H32O5 EXACTMASS 352.224974134 AVERAGEMASS 352.46508 SMILES C(CC[C@@H](O)C=C[C@H]([C@@H](CC=CCCCC(O)=O)1)O[C@H](C2)O[C@@H]12)CC AUTODRAW FALSE M END