Mol:FL5FABNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -2.1534    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1534   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1516    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6521    0.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3485    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8788    0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.4092    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8788    1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3485    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.9391    1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6536    0.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
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  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 
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  9 10  1  0  0  0  0 
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  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1 OCH3 
M  SBV   1 23   -5.3422    4.0338 
S  SKP  8 
ID	FL5FABNS0001 
KNApSAcK_ID	C00001060 
NAME	Kaempferide 
CAS_RN	491-54-3 
FORMULA	C16H12O6 
EXACTMASS	300.063388116 
AVERAGEMASS	300.26288 
SMILES	COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1 
M  END