Mol:FLIA1LNI0001

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Copyright: ARM project http://www.metabolome.jp/
 28 31  0  0  0  0  0  0  0  0999 V2000
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   -1.1517    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0391    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0391    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0735    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0735    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6296   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6296   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8191   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2243    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2369    0.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3206    0.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8760    1.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2923    0.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4723   -1.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8760   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4723    0.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9151   -0.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6296   -1.1571    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  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  30
M  SMT   1 ^OCH3
M  SBV   1 30   -5.7808    3.3188
S  SKP  8
ID	FLIA1LNI0001
KNApSAcK_ID	C00009442
NAME	Maximaisoflavone C
CAS_RN	10489-51-7
FORMULA	C22H20O6
EXACTMASS	380.125988372
AVERAGEMASS	380.3906
SMILES	c(O4)(c(OC4)3)cc(c(OC)c3)C(C2=O)=COc(c21)cc(cc1)OCC=C(C)C
M  END

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