Mol:FL63ADNS0001

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Revision as of 09:00, 7 October 2008

FL63ADNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
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   -0.2489    0.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027    0.1929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8006   -1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7691    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138    1.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7691    0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    0.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5859    1.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0169    2.5744    0.0000 C   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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  1  6  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23    1.5859    1.6721
S  SKP  8
ID	FL63ADNS0001
KNApSAcK_ID	C00008809
NAME	Symplocosidin
CAS_RN	76549-34-3
FORMULA	C16H16O6
EXACTMASS	304.094688244
AVERAGEMASS	304.29463999999996
SMILES	COc(c(O)3)cc(cc3)[C@@H](O1)[C@H](O)Cc(c(O)2)c(cc(O)c2)1
M  END

</pre>

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