Mol:FLIEBANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
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   -2.3394   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7831    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7831    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3394    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2268   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6705    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4804    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2251   -0.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4520    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6705    0.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.6694   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2636   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8578    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8578    0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4520   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.0613   -0.7004    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  2  0  0  0  0 
  9  5  1  0  0  0  0 
  8 10  1  0  0  0  0 
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 15 10  1  0  0  0  0 
  7 16  1  0  0  0  0 
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  3 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  29 
M  SMT   1 OCH3 
M  SBV   1 29   -7.8449    4.3469 
S  SKP  8 
ID	FLIEBANI0001 
KNApSAcK_ID	C00010058 
NAME	3,9-Dihydroxy-1-methoxy-8-prenylcoumestan 
CAS_RN	128351-78-0 
FORMULA	C21H18O6 
EXACTMASS	366.110338308 
AVERAGEMASS	366.36402 
SMILES	COc(c4)c(c31)c(cc(O)4)OC(c(c(c(o3)2)cc(c(O)c2)CC=C(C)C)1)=O 
M  END