Mol:FLIAALNI0009

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FLIAALNI0009.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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    1.9664    0.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.4482   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5606   -0.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716    1.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -1.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9658   -1.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7774   -1.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5590   -1.3283    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 
  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 
  3 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
S  SKP  8 
ID	FLIAALNI0009 
KNApSAcK_ID	C00009876 
NAME	Fremontin;5,7,2',4'-Tetrahydroxy-5'-(1''',1'''-dimethylallyl)isoflavone 
CAS_RN	124166-27-4 
FORMULA	C20H18O6 
EXACTMASS	354.110338308 
AVERAGEMASS	354.35332 
SMILES	C=CC(c(c1O)cc(C(C(=O)2)=COc(c3)c2c(cc(O)3)O)c(c1)O)(C)C 
M  END
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