Mol:FL1C3CGS0019

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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    3.0635   -0.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0635    0.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5251    0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9867    0.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3327   -1.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  6  1  1  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 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  31  32 
M  SBL   3  1  33 
M  SMT   3  CH2OH 
M  SVB   3 33   -3.5091    0.8977 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  35 
M  SMT   2  OCH3 
M  SVB   2 35    3.6017    0.7791 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  31 
M  SMT   1  OCH3 
M  SVB   1 31    3.2445   -0.3596 
S  SKP  8 
ID	FL1C3CGS0019 
KNApSAcK_ID	C00007910 
NAME	Okanin 3,4-dimethyl ehter 4'-glucoside 
CAS_RN	94285-17-3 
FORMULA	C23H26O11 
EXACTMASS	478.147511674 
AVERAGEMASS	478.44594 
SMILES	O(C)c(c1)c(ccc(C=CC(=O)c(c2)c(c(O)c(O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)c2)O)1)OC 
M  END