Mol:FLIA1AGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -0.4009    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4009    0.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0996   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6000    0.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6000    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0996    0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1005   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6009    0.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6009    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1005    0.9797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9010    0.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1005   -0.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1011   -0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1011   -0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5652   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0293   -0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0293   -0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5652    0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4925   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1646    0.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.3143    0.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.3970   -0.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5019    0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2988    0.9521    0.0000 O   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 
 10  5  1  0  0  0  0 
  1 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
  8 13  1  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 
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 17 18  1  0  0  0  0 
 18 13  2  0  0  0  0 
 16 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
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 25 20  1  0  0  0  0 
 23 11  1  0  0  0  0 
 22 26  1  0  0  0  0 
 20 27  1  0  0  0  0 
 21 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1 ^CH2OH 
M  SBV   1 32   -6.0313    4.3892 
S  SKP  8 
ID	FLIA1AGS0001 
KNApSAcK_ID	C00002518 
NAME	Daidzin;Daidzein 7-O-glucoside;Daidzoside 
CAS_RN	552-66-9 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	Oc(c1)ccc(C(C4=O)=COc(c43)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)c1 
M  END