Mol:FL6FCFGS0001

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FL6FCFGS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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    2.2987    0.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2987    1.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7764    1.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2541    1.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0209   -1.2086    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
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   -3.5932   -0.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6931    0.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1931    1.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0371    2.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4572    2.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2987    1.1402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2987    1.1402    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  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 
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 15 16  2  0  0  0  0 
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 20 19  1  1  0  0  0 
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 17 23  1  0  0  0  0 
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 26  3  1  0  0  0  0 
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 27 28  1  0  0  0  0 
  1 29  1  0  0  0  0 
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 15 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 14 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  27  28 
M  SBL   4  1  30 
M  SMT   4  CH2OH 
M  SVB   4 30   -2.6372   -0.5068 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  33  34 
M  SBL   3  1  36 
M  SMT   3  OCH3 
M  SVB   3 36    2.8202    1.4414 
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    2.0371    2.0049 
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    0.8568 
S  SKP  8 
ID	FL6FCFGS0001 
KNApSAcK_ID	C00008769 
NAME	Dichotosinin 
CAS_RN	89294-56-4 
FORMULA	C24H30O10 
EXACTMASS	478.18389718 
AVERAGEMASS	478.48900000000003 
SMILES	c(c1)(c(ccc1C(O2)CCc(c(O[C@@H]([C@H]4O)OC([C@H](O)[C@@H]4O)CO)3)c2cc(c3)OC)OC)OC 
M  END
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