Mol:FLIA1LGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
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    2.4905   -1.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418   -0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418   -0.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2170    0.5463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7184    0.7402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1988    0.7345    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.7275    2.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  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  1  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 18 30  1  0  0  0  0
 30 31  1  0  0  0  0
 15 32  1  0  0  0  0
 32 33  1  0  0  0  0
 16 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  28  29
M  SBL   4  1  31
M  SMT   4  CH2OH
M  SVB   4 31   -3.3658    1.6393
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  34  35
M  SBL   3  1  37
M  SMT   3  OCH3
M  SVB   3 37    3.2359   -0.9555
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  OCH3
M  SVB   2 35    2.0517   -1.2268
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33    2.7662    0.7773
S  SKP  8
ID	FLIA1LGS0001
KNApSAcK_ID	C00010099
NAME	7-Hydroxy-2',4',5'-trimethoxyisoflavone 7-O-glucoside
CAS_RN	-
FORMULA	C24H26O11
EXACTMASS	490.147511674
AVERAGEMASS	490.45664
SMILES	[C@@H]([C@H](O)1)(O)[C@@H](O)C(O[C@H]1Oc(c4)cc(O2)c(c4)C(=O)C(c(c3)c(OC)cc(OC)c3OC)=C2)CO
M  END

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