Mol:FL6FCBGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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    0.7361    0.5196    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2181    0.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2541    0.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764    0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2987    0.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2987    1.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764    1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2541    1.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9742   -0.8288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418   -1.0756    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6118   -0.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0001   -1.8783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6931    1.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8202    1.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5347    1.3104    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
  9 11  1  6  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
 17 18  1  1  0  0  0
 18 19  1  1  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26  3  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
 14 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  27  28
M  SBL   3  1  30
M  SMT   3  CH2OH
M  SVB   3 30   -2.5458   -0.6771
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  34
M  SMT   2  OCH3
M  SVB   2 34    2.8202    1.7229
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32   -1.6931    1.1384
S  SKP  8
ID	FL6FCBGS0001
KNApSAcK_ID	C00008772
NAME	Dichotosin
CAS_RN	97399-72-9
FORMULA	C23H28O9
EXACTMASS	448.17333249399996
AVERAGEMASS	448.46302000000003
SMILES	O(C)c(c2)cc(c(C3)c(O[C@H](c(c4)ccc(c4)OC)C3)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M  END

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