Mol:FLIAABNP0001

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FLIAABNP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 29  0  0  0  0  0  0  0  0999 V2000
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    0.0850    1.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1974   -0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7922   -1.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3869   -0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7922    0.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0850   -0.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1402    1.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3384    0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6965    1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2529   -1.3790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1189   -1.8791    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
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  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
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 20 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  28
M  SMT   1  OCH3
M  SVB   1 28    2.6239   -1.0852
S  SKP  8
ID	FLIAABNP0001
KNApSAcK_ID	C00009495
NAME	4'-O-methylalpinumisoflavone
CAS_RN	27762-87-4
FORMULA	C21H18O5
EXACTMASS	350.115423686
AVERAGEMASS	350.36462
SMILES	c(c4)c(ccc(OC)4)C(=C3)C(c(c2O)c(O3)cc(c12)OC(C=C1)(C)C)=O
M  END

</pre>

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