Mol:FL1D1AGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
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    0.6969    0.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1601    0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6234    0.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0866    0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
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  6  1  1  0  0  0  0 
  3  7  1  0  0  0  0 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  32 
M  SMT   2  CH2OH 
M  SVB   2 32   -2.4284   -0.0148 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  30 
M  SMT   1  OCH3 
M  SVB   1 30   -1.0492    1.3934 
S  SKP  8 
ID	FL1D1AGS0003 
KNApSAcK_ID	C00007990 
NAME	4'-O-Methyldavidioside 
CAS_RN	65428-05-9 
FORMULA	C22H26O9 
EXACTMASS	434.15768243 
AVERAGEMASS	434.43644 
SMILES	c(C(=O)CCc(c3)ccc(O)c3)(c(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1)ccc(OC)c1 
M  END