Mol:FL3FA9GS0001

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FL3FA9GS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
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   -2.8318   -0.5752    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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 15 16  1  0  0  0  0
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  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
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 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
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 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 18  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1 ^CH2OH
M  SBV   1 32   -7.9181    3.2744
S  SKP  8
ID	FL3FA9GS0001
KNApSAcK_ID	C00004109
NAME	Toringin
CAS_RN	1329-10-8
FORMULA	C21H20O9
EXACTMASS	416.11073223799997
AVERAGEMASS	416.37809999999996
SMILES	C(C1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cccc2)(O)C(O)C(O)C(O1)CO
M  END

</pre>

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