Mol:FL5FAAGS0112

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 38 41  0  0  0  0  0  0  0  0999 V2000 
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    1.1286    2.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8431    1.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5575    2.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5575    2.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8431    3.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4141    1.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3004    2.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0148    1.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0148    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3004    0.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4141    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0204    0.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1582    3.3303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2659   -1.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0874   -1.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2312   -1.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.3448   -1.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.9219   -2.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4698   -3.1776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3782   -3.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3818   -2.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6797   -3.3960    0.0000 C   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  2  0  0  0  0 
  6  1  1  0  0  0  0 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 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 10  1  0  0  0  0 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 12 19  1  0  0  0  0 
  5 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 24 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 27 30  1  0  0  0  0 
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 22 32  1  0  0  0  0 
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 36 38  1  0  0  0  0 
S  SKP  8 
ID	FL5FAAGS0112 
KNApSAcK_ID	C00013779 
NAME	Kaempferol 3-(3'',4''-diacetylglucoside) 
CAS_RN	- 
FORMULA	C25H24O13 
EXACTMASS	532.121690854 
AVERAGEMASS	532.45026 
SMILES	C(C4O)(OC(CO)C(OC(C)=O)C(OC(C)=O)4)OC(=C2c(c3)ccc(c3)O)C(=O)c(c(O2)1)c(O)cc(O)c1 
M  END