Mol:FLIE1ANS0002

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FLIE1ANS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 24  0  0  0  0  0  0  0  0999 V2000 
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    0.5983    1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6539   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5200   -1.6763    0.0000 C   0  0  0  0  0  0  0  0  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 
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  8  9  1  0  0  0  0 
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 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    2.0248   -0.8826 
S  SKP  8 
ID	FLIE1ANS0002 
KNApSAcK_ID	C00009757 
NAME	9-O-Methylcoumestrol;4'-O-Methylcoumestrol;3-Hydroxy-9-methoxycoumestan 
CAS_RN	1690-62-6 
FORMULA	C16H10O5 
EXACTMASS	282.05282343 
AVERAGEMASS	282.2476 
SMILES	COc(c4)cc(o1)c(c4)c(C(=O)2)c1c(c3)c(cc(O)c3)O2 
M  END
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