Mol:FLIAACNP0005

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FLIAACNP0005.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
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    1.6052    0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0104   -1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6052   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2000   -1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2000   -0.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2000   -1.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9218   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8094   -0.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1994    0.9426    0.0000 O   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 
  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 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 14  1  0  0  0  0 
 21 23  1  0  0  0  0 
 21 24  1  0  0  0  0 
  3 25  1  0  0  0  0 
 15 26  1  0  0  0  0 
S  SKP  8 
ID	FLIAACNP0005 
KNApSAcK_ID	C00009880 
NAME	Semilicoisoflavone B 
CAS_RN	129280-33-7 
FORMULA	C20H16O6 
EXACTMASS	352.094688244 
AVERAGEMASS	352.33744 
SMILES	c(c(O)4)c(O)c(c(c4)1)C(C(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)=CO1)=O 
M  END
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