Mol:FL2FG9NS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
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   -1.6004   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0441    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6248   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248    0.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0685    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -1.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
 10  5  1  0  0  0  0
  9 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
  3 20  1  0  0  0  0
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  2 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   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26    -0.766     1.011
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24   -2.3149   -0.4342
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -1.4805   -1.0073
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20   -1.9576    0.7355
S  SKP  8
ID	FL2FG9NS0004
KNApSAcK_ID	C00008162
NAME	Kanakugin
CAS_RN	57499-45-3
FORMULA	C19H20O6
EXACTMASS	344.125988372
AVERAGEMASS	344.3585
SMILES	O(C2c(c3)cccc3)c(c1OC)c(C(=O)C2)c(c(c1OC)OC)OC
M  END

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