Mol:FLIA2CNS0003

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FLIA2CNS0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -1.3007   -0.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7548   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.8741   -2.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2536   -2.0235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9486   -1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4342   -1.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0976   -1.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2754   -2.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7897   -2.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.6161   -0.6611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.6736   -1.2198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.2074   -1.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.9613   -2.2932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6105   -0.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3554   -1.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1171    0.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9390    0.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  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  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
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 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 
  7 17  2  0  0  0  0 
 13 18  1  0  0  0  0 
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 19 20  1  0  0  0  0 
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  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26   -2.5979    0.5083 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -2.2406     1.678 
S  SKP  8 
ID	FLIA2CNS0003 
KNApSAcK_ID	C00009411 
NAME	Fujikinetin methyl ether 
CAS_RN	2746-85-2 
FORMULA	C18H14O6 
EXACTMASS	326.07903818 
AVERAGEMASS	326.30016 
SMILES	c(c(OC)4)(OC)cc(c1c4)OC=C(c(c3)cc(c2c3)OCO2)C1=O 
M  END
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