Mol:FL7AAHGO0001

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FL7AAHGO0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -2.6560   -0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5126   -1.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2019   -1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2019   -0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5126   -0.2113    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.9161   -0.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6441   -0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0250   -1.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5794   -2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2666   -2.4522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8281   -2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3560   -2.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6687   -2.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   -1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9304   -2.0614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3702   -1.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1003   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6384    1.7057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2054    2.8580    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  2  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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 22 20  1  0  0  0  0
 13 30  1  0  0  0  0
 31 32  1  0  0  0  0
 15 31  1  0  0  0  0
M  CHG  1  10   1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  35
M  SMT   1  OCH3
M  SBV   1  35    0.0058   -0.6560
S  SKP  5
ID	FL7AAHGS0001
FORMULA	C21H21O11
EXACTMASS	449.108386514
AVERAGEMASS	449.38484
SMILES	C(O1)(Oc(c(c(c4)cc(OC)c(O)c(O)4)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O
M  END

</pre>

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