Mol:FLIAAAGS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.5182    1.4160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9619    1.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4056    1.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1505    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1505    0.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7273    0.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3040    0.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3040    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7273    1.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9617    0.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4056    0.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7273   -0.5695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8803    0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8803   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4317   -0.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9830   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9830    0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4317    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5344   -0.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6940   -0.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3477   -1.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8491   -0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3295   -0.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7176   -0.5935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2269   -0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5344   -0.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8875   -1.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5634   -1.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4161   -0.5089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4325    0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7181   -0.2723    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  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11  5  1  0  0  0  0 
  6 12  2  0  0  0  0 
  7 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  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 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 11 29  1  0  0  0  0 
 23 29  1  0  0  0  0 
 25 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   -9.7004    4.9550 
S  SKP  8 
ID	FLIAAAGS0009 
KNApSAcK_ID	C00010162 
NAME	Genistein 5-O-glucoside 
CAS_RN	128508-06-5 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	C(C1Oc(c24)cc(O)cc2OC=C(C4=O)c(c3)ccc(O)c3)(O)C(O)C(O)C(O1)CO 
M  END