Mol:LBF20406AM44

(Redirected from Mol:LBF20806SF01)


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

32 32  0  0  0  0  0  0  0  0999 V2000 
   0.3530   -0.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   1.7821   -0.5731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0677    0.6644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  -1.0761   -0.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7881   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6131   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3276   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  -4.8670   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  -1.7595   -1.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0450   -1.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3305   -1.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3815   -1.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0935   -1.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8054   -1.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4966   -0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2111   -0.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9255   -0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9255    0.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2111    1.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4966    0.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6400    1.0769    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3545    1.4894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   5.0525    0.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2275    1.7913    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 
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10 11  2  0 
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15 16  1  0 
16 17  2  0 
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20 21  1  0 
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 3 23  1  0 
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28 23  1  0 
26 29  1  0 
29 30  1  0 
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29 32  2  0 

S SKP 6 ID LBF20406AM44 FORMULA C26H38N2O3S EXACTMASS 458.260313782 AVERAGEMASS 458.6576 SMILES C(CCC)CC=CCC=CCC=CCC=CCCCC(Nc(c1)ccc(c1)S(N)(=O)=O)=O AUTODRAW FALSE M END