Mol:FL1CDANS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 23  0  0  0  0  0  0  0  0999 V2000 
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   -0.1063   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4498   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0059   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5669   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1279   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1279    0.4989    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 
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    2.6887    0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.1887    1.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6628    0.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0517    0.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
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  6  1  2  0  0  0  0 
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  1 19  1  0  0  0  0 
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  5 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22   -0.6628    0.8145 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -2.6887    1.1122 
S  SKP  8 
ID	FL1CDANS0002 
KNApSAcK_ID	C00006957 
NAME	Flavokawin C 
CAS_RN	37308-75-1 
FORMULA	C17H16O5 
EXACTMASS	300.099773622 
AVERAGEMASS	300.30593999999996 
SMILES	COc(c1)cc(OC)c(C(=O)C=Cc(c2)ccc(O)c2)c(O)1 
M  END