Mol:FL5F4ANS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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   -2.5107   -1.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3991   -2.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7956   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.8912   -2.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7797   -3.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1761   -3.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6840   -2.9360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2735   -0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5822   -0.4652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2966   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
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  5  6  1  0  0  0  0 
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 26 27  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  26  27 
M  SBL   5  1  28 
M  SMT   5  OCH3 
M  SVB   5 28   -1.4067    0.9749 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  24  25 
M  SBL   4  1  26 
M  SMT   4  OCH3 
M  SVB   4 26     2.241    1.3836 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24     0.183    -0.768 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22   -2.9555   -0.4703 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -2.5983    0.6994 
S  SKP  8 
ID	FL5F4ANS0001 
KNApSAcK_ID	C00004657 
NAME	Auranetin 
CAS_RN	522-16-7 
FORMULA	C20H20O7 
EXACTMASS	372.120902994 
AVERAGEMASS	372.3686 
SMILES	c(c21)(C(C(=C(c(c3)ccc(OC)c3)O2)OC)=O)cc(c(c1OC)OC)OC 
M  END