Mol:FL3FE9GS0008

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FL3FE9GS0008.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -2.0493    3.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8250    0.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.9748   -0.1922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5492   -0.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.0613    0.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1084   -0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2318    2.2075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2166    2.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6535    0.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6093    1.1676    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 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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  1 18  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 
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 24 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  32  33 
M  SBL   3  1  35 
M  SMT   3  CH2OH 
M  SVB   3 35   -2.6535    0.8734 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  33 
M  SMT   2  OCH3 
M  SVB   2 33    0.1795   -1.0073 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  31 
M  SMT   1  OCH3 
M  SVB   1 31   -0.6549   -0.4342 
S  SKP  8 
ID	FL3FE9GS0008 
KNApSAcK_ID	C00004126 
NAME	7-Hydroxy-5,6-dimethoxyflavone 7-glucoside 
CAS_RN	79198-77-9 
FORMULA	C23H24O10 
EXACTMASS	460.136946988 
AVERAGEMASS	460.43066 
SMILES	c(c4)(cccc4)C(=C3)Oc(c(C(=O)3)2)cc(c(c(OC)2)OC)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O 
M  END
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