Mol:FLIE1CNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
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   -1.2490   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2490    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0145   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.1993    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0157    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2035   -1.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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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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   -6.2802    4.2937 
S  SKP  8 
ID	FLIE1CNI0001 
KNApSAcK_ID	C00010055 
NAME	Mirificoumestan;3,9-Dihydroxy-8-methoxy-7-prenylcoumestan 
CAS_RN	114865-41-7 
FORMULA	C21H18O6 
EXACTMASS	366.110338308 
AVERAGEMASS	366.36402 
SMILES	COc(c(O)4)c(CC=C(C)C)c(c3c4)c(C(=O)1)c(o3)c(c2)c(cc(O)c2)O1 
M  END