Mol:FLIEECNS0001

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FLIEECNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 30  0  0  0  0  0  0  0  0999 V2000 
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   -2.2358    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6795   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.5455   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.7350   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1403    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5611   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5455    1.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3882   -1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7919   -0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3882   -0.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7919   -0.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5931    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0931    2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1159   -0.4366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4015   -0.8491    0.0000 C   0  0  0  0  0  0  0  0  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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
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  8 11  1  0  0  0  0 
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 12 13  2  0  0  0  0 
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 15 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  7 17  1  0  0  0  0 
  1  2  1  0  0  0  0 
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  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  3 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  29 
M  SMT   2  OCH3 
M  SVB   2 29   -2.1159   -0.4366 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -2.5931    1.3062 
S  SKP  8 
ID	FLIEECNS0001 
KNApSAcK_ID	C00009772 
NAME	2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan 
CAS_RN	35930-41-7 
FORMULA	C18H12O8 
EXACTMASS	356.05321735999996 
AVERAGEMASS	356.28308 
SMILES	c(c5OC)c(O4)c(c(c5O)OC)c(o1)c(C4=O)c(c3)c(cc(c32)OCO2)1 
M  END
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