Mol:FLIAABNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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   -1.6431    0.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0868    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5305    0.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5305    1.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0868    1.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0258    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5821    0.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5821    1.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0258    1.5047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1382    0.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1382   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7330   -0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3278   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3278    0.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7330    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0258   -0.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1992    1.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1993    0.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.7398   -0.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7398   -1.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2792   -0.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0868   -0.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1938   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0599   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  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 
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  8 11  1  0  0  0  0 
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 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
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  1  2  1  0  0  0  0 
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  3 24  1  0  0  0  0 
 14 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27    2.5648   -0.6729 
S  SKP  8 
ID	FLIAABNI0001 
KNApSAcK_ID	C00009887 
NAME	Gancaonin A;5,7-Dihydroxy-4'-methoxy-6-prenylisoflavone 
CAS_RN	27762-99-8 
FORMULA	C21H20O5 
EXACTMASS	352.13107375 
AVERAGEMASS	352.3805 
SMILES	c(c3)c(ccc(OC)3)C(=C2)C(=O)c(c1O)c(O2)cc(c(CC=C(C)C)1)O 
M  END