Mol:FL1D1AGS0003

<pre>

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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   -1.6495   -0.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9475    1.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4284   -0.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4142    0.1529    0.0000 O   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
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
  8 17  2  0  0  0  0
 14 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
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22  7  1  0  0  0  0
  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
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

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