Mol:FLIB2CNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -1.3007   -0.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7548   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3753   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5416   -0.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0874   -1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4669   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1621   -1.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3283   -1.7356    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.8741   -2.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2536   -2.0235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9486   -1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4342   -1.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0976   -1.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -6.2074   -1.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.9613   -2.2932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6105   -0.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3554   -1.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1171    0.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9390    0.1008    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  1  0  0  0  0 
  8  9  1  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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  7 17  2  0  0  0  0 
 13 18  1  0  0  0  0 
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  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26   -2.5979    0.5083 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -2.2406     1.678 
S  SKP  8 
ID	FLIB2CNS0001 
KNApSAcK_ID	C00009544 
NAME	6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone 
CAS_RN	24195-20-8 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	c(c(OC)4)(OC)cc(c1c4)OCC(c(c3)cc(c2c3)OCO2)C1=O 
M  END