Mol:FLIAAAGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
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   -2.7537    1.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1976    1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1976    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6209    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0442    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0442    1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.3100    0.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7537    0.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6209   -0.4501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4678    0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4678   -0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0835   -0.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6349   -0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6349    0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0835    0.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1054   -0.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7924   -0.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1635   -0.9346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6980   -0.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3123   -0.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8390   -0.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3714   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8652   -0.0869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4164   -0.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8212   -0.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8212    1.5093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7642   -0.3909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6979   -1.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4123   -1.5473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  5 11  2  0  0  0  0 
  6 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
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 14 15  2  0  0  0  0 
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 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 18 15  1  0  0  0  0 
 19 20  1  1  0  0  0 
 20 21  1  1  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 18 19  1  0  0  0  0 
 24 25  1  0  0  0  0 
 23 26  1  0  0  0  0 
 22 27  1  0  0  0  0 
  1 28  1  0  0  0  0 
 10 29  1  0  0  0  0 
 21 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1 CH2OH 
M  SBV   1 33   -9.0794    3.1928 
S  SKP  8 
ID	FLIAAAGS0003 
KNApSAcK_ID	C00010105 
NAME	Genistein 4'-O-glucoside;Sophoricoside 
CAS_RN	152-95-4 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	c(c1C(C(=O)3)=COc(c4)c3c(cc(O)4)O)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 
M  END