Mol:FL1CCANS0001

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FL1CCANS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 22  0  0  0  0  0  0  0  0999 V2000 
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    1.0059   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0059    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6626   -0.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.6887    1.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  3  4  1  0  0  0  0 
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  4  7  1  0  0  0  0 
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  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
 13 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -2.6887    1.1122 
S  SKP  8 
ID	FL1CCANS0001 
KNApSAcK_ID	C00006953 
NAME	Neosakuranetin 
CAS_RN	81719-04-2 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c1)cc(O)c(C(=O)C=Cc(c2)ccc(O)c2)c(O)1 
M  END
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