Mol:FLIHALNI0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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    0.7756    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5213    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265    0.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9265    1.1882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6152   -0.4145    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  2  0  0  0  0
  8  9  1  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
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 14 15  1  0  0  0  0
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  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 21  1  0  0  0  0
  1 22  1  0  0  0  0
  9 23  2  0  0  0  0
 16 24  1  0  0  0  0
 14 25  1  0  0  0  0
  3 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  28
M  SMT   1 OCH3
M  SBV   1 28   -6.3988    4.6328
S  SKP  8
ID	FLIHALNI0002
KNApSAcK_ID	C00010040
NAME	Glycycoumarin
CAS_RN	94805-82-0
FORMULA	C21H20O6
EXACTMASS	368.125988372
AVERAGEMASS	368.37989999999996
SMILES	C(=C(c(c3)c(O)cc(O)c3)2)c(c1OC(=O)2)c(c(CC=C(C)C)c(O)c1)OC
M  END

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