Mol:FLIA3LNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
   -1.9626    0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9626    0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4063   -0.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8500    0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8500    0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4063    1.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2937   -0.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2626    0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2626    0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2937    1.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8187   -0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8187   -0.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4135   -1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0083   -0.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0083   -0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4135    0.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5187    1.2426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2937   -0.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5563   -1.7439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2393   -1.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5187   -1.1883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7106    0.8855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4251    0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1282    1.8157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6916    2.7153    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 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
  1 17  1  0  0  0  0 
  7 18  2  0  0  0  0 
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 20 21  1  0  0  0  0 
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 16 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  6 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27   -1.1282    1.8157 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25    1.7106    0.8855 
S  SKP  8 
ID	FLIA3LNS0002 
KNApSAcK_ID	C00009824 
NAME	Maximaisoflavone F;7-Hydroxy-8,2'-dimethoxy-4',5'-methylenedioxyisoflavonel 
CAS_RN	94413-11-3 
FORMULA	C18H14O7 
EXACTMASS	342.073952802 
AVERAGEMASS	342.29956000000004 
SMILES	c(c34)c(c(OC)cc3OCO4)C(C1=O)=COc(c(OC)2)c1ccc2O 
M  END