Mol:FLIA1ANS0004

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FLIA1ANS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 23  0  0  0  0  0  0  0  0999 V2000 
   -2.2825    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6136    1.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.6883   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136   -0.7806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6398    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1398    2.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5543   -1.3251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4203   -1.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
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  8 11  1  0  0  0  0 
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  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
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    1.9253   -1.0314 
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   -2.6398    1.4439 
S  SKP  8 
ID	FLIA1ANS0004 
KNApSAcK_ID	C00009387 
NAME	7,4'-Di-O-methyldaidzein 
CAS_RN	1157-39-7 
FORMULA	C17H14O4 
EXACTMASS	282.089208936 
AVERAGEMASS	282.29066 
SMILES	COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)cc(OC)c1 
M  END
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